| Year |
Citation |
Score |
| 2023 |
Lupi E, Wexler RB, Meyers D, Zahradnik A, Jiang Y, Susarla S, Ramesh R, Martin LW, Rappe AM. Engineering Relaxor Behavior in (BaTiO ) /(SrTiO ) Superlattices. Advanced Materials (Deerfield Beach, Fla.). e2302012. PMID 37433562 DOI: 10.1002/adma.202302012 |
0.766 |
|
| 2021 |
Qi Y, Rappe AM. Widespread Negative Longitudinal Piezoelectric Responses in Ferroelectric Crystals with Layered Structures. Physical Review Letters. 126: 217601. PMID 34114845 DOI: 10.1103/PhysRevLett.126.217601 |
0.732 |
|
| 2021 |
Dai Z, Schankler AM, Gao L, Tan LZ, Rappe AM. Phonon-Assisted Ballistic Current from First-Principles Calculations. Physical Review Letters. 126: 177403. PMID 33988454 DOI: 10.1103/PhysRevLett.126.177403 |
0.508 |
|
| 2020 |
Xu B, Fang Z, Sánchez-Martínez MÁ, Venderbos JWF, Ni Z, Qiu T, Manna K, Wang K, Paglione J, Bernhard C, Felser C, Mele EJ, Grushin AG, Rappe AM, Wu L. Optical signatures of multifold fermions in the chiral topological semimetal CoSi. Proceedings of the National Academy of Sciences of the United States of America. PMID 33077590 DOI: 10.1073/pnas.2010752117 |
0.494 |
|
| 2020 |
Du EW, Gong SJ, Tang X, Chu J, Rappe AM, Gong C. Ferroelectric switching of pure spin polarization in two-dimensional electron gas. Nano Letters. PMID 32786931 DOI: 10.1021/Acs.Nanolett.0C02584 |
0.302 |
|
| 2020 |
Reyes-Martinez M, Tan P, Kakekhani A, Banerjee S, Zhumekenov AA, Peng W, Bakr OM, Rappe AM, Loo YL. Unraveling the elastic properties of (quasi)2D hybrid perovskites: A joint experimental and theoretical study. Acs Applied Materials & Interfaces. PMID 32188240 DOI: 10.1021/Acsami.0C02327 |
0.334 |
|
| 2020 |
Sharma R, Dai Z, Gao L, Brenner TM, Yadgarov L, Zhang J, Rakita Y, Korobko R, Rappe AM, Yaffe O. Elucidating the atomistic origin of anharmonicity in tetragonal CH3NH3PbI3 with Raman scattering Physical Review Materials. 4. DOI: 10.1103/Physrevmaterials.4.092401 |
0.334 |
|
| 2020 |
Sharma R, Menahem M, Dai Z, Gao L, Brenner TM, Yadgarov L, Zhang J, Rakita Y, Korobko R, Pinkas I, Rappe AM, Yaffe O. Lattice mode symmetry analysis of the orthorhombic phase of methylammonium lead iodide using polarized Raman Physical Review Materials. 4. DOI: 10.1103/Physrevmaterials.4.051601 |
0.348 |
|
| 2020 |
Singh H, Fei R, Rakita Y, Kulbak M, Cahen D, Rappe AM, Frenkel AI. Origin of the anomalous Pb-Br bond dynamics in formamidinium lead bromide perovskites Physical Review B. 101. DOI: 10.1103/Physrevb.101.054302 |
0.703 |
|
| 2020 |
Fei R, Tan LZ, Rappe AM. Shift-current bulk photovoltaic effect influenced by quasiparticle and exciton Physical Review B. 101. DOI: 10.1103/Physrevb.101.045104 |
0.764 |
|
| 2019 |
Yang F, Yang J, Qi Y, de Boer MP, Carpick RW, Rappe AM, Srolovitz DJ. Mechanochemical Effects of Adsorbates at Nanoelectromechanical Switch Contacts. Acs Applied Materials & Interfaces. PMID 31547645 DOI: 10.1021/Acsami.9B09707 |
0.744 |
|
| 2019 |
Meirzadeh E, Christensen DV, Makagon E, Cohen H, Rosenhek-Goldian I, Morales EH, Bhowmik A, Lastra JMG, Rappe AM, Ehre D, Lahav M, Pryds N, Lubomirsky I. Surface Pyroelectricity in Cubic SrTiO. Advanced Materials (Deerfield Beach, Fla.). e1904733. PMID 31532884 DOI: 10.1002/Adma.201904733 |
0.365 |
|
| 2019 |
Cohen AV, Egger DA, Rappe AM, Kronik L. Breakdown of the Static Picture of Defect Energetics in Halide Perovskites: The Case of the Br Vacancy in CsPbBr. The Journal of Physical Chemistry Letters. PMID 31317738 DOI: 10.1021/Acs.Jpclett.9B01855 |
0.329 |
|
| 2019 |
Ji Z, Liu G, Addison Z, Liu W, Yu P, Gao H, Liu Z, Rappe AM, Kane CL, Mele EJ, Agarwal R. Spatially dispersive circular photogalvanic effect in a Weyl semimetal. Nature Materials. PMID 31308515 DOI: 10.1038/S41563-019-0421-5 |
0.54 |
|
| 2019 |
Li X, Qiu T, Zhang J, Baldini E, Lu J, Rappe AM, Nelson KA. Terahertz field-induced ferroelectricity in quantum paraelectric SrTiO. Science (New York, N.Y.). 364: 1079-1082. PMID 31197011 DOI: 10.1126/Science.Aaw4913 |
0.305 |
|
| 2019 |
Kim J, Takenaka H, Qi Y, Damodaran AR, Fernandez A, Gao R, McCarter MR, Saremi S, Chung L, Rappe AM, Martin LW. Epitaxial Strain Control of Relaxor Ferroelectric Phase Evolution. Advanced Materials (Deerfield Beach, Fla.). e1901060. PMID 30968488 DOI: 10.1002/Adma.201901060 |
0.745 |
|
| 2019 |
Hu P, Hu S, Huang Y, Reimers JR, Rappe AM, Li Y, Stroppa A, Ren W. Bio-Ferroelectric Properties of Glycine Crystals. The Journal of Physical Chemistry Letters. PMID 30776247 DOI: 10.1021/Acs.Jpclett.8B03837 |
0.333 |
|
| 2019 |
Gao H, Venderbos JW, Kim Y, Rappe AM. Topological Semimetals from First Principles Annual Review of Materials Research. 49: 153-183. DOI: 10.1146/Annurev-Matsci-070218-010049 |
0.314 |
|
| 2019 |
Wexler RB, Qi Y, Rappe AM. Sr-induced dipole scatter in
BaxSr1−xTiO3
: Insights from a transferable-bond valence-based interatomic potential Physical Review B. 100. DOI: 10.1103/Physrevb.100.174109 |
0.766 |
|
| 2019 |
Tan LZ, Rappe AM. Upper limit on shift current generation in extended systems Physical Review B. 100. DOI: 10.1103/Physrevb.100.085102 |
0.546 |
|
| 2019 |
Shafir O, Yang J, Rappe AM, Grinberg I. Ferroelectric barium titanate derivatives containing Mo and Mg for transparent photovoltaic applications Journal of Applied Physics. 126: 174101. DOI: 10.1063/1.5123675 |
0.307 |
|
| 2019 |
Wexler RB, Qiu T, Rappe AM. Automatic Prediction of Surface Phase Diagrams Using Ab Initio Grand Canonical Monte Carlo The Journal of Physical Chemistry C. 123: 2321-2328. DOI: 10.1021/Acs.Jpcc.8B11093 |
0.792 |
|
| 2019 |
Tan LZ, Rappe AM. Spin-orbit enhanced carrier lifetimes in noncentrosymmetric semiconductors Journal of Physics and Chemistry of Solids. 128: 225-230. DOI: 10.1016/J.Jpcs.2018.02.016 |
0.547 |
|
| 2019 |
Gebhardt J, Rappe AM. Big data approach for effective ionic radii Computer Physics Communications. 237: 238-243. DOI: 10.1016/J.Cpc.2018.11.014 |
0.304 |
|
| 2018 |
Tan LZ, Rappe AM. Effect of wavefunction delocalization on shift current generation. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 31: 084002. PMID 30530948 DOI: 10.1088/1361-648X/Aaf74B |
0.563 |
|
| 2018 |
Mayers M, Tan LZ, Egger DA, Rappe AM, Reichman DR. How Lattice and Charge Fluctuations Control Carrier Dynamics in Halide Perovskites. Nano Letters. PMID 30387614 DOI: 10.1021/Acs.Nanolett.8B04276 |
0.565 |
|
| 2018 |
Gao H, Kim Y, Venderbos JWF, Kane CL, Mele EJ, Rappe AM, Ren W. Dirac-Weyl Semimetal: Coexistence of Dirac and Weyl Fermions in Polar Hexagonal ABC Crystals. Physical Review Letters. 121: 106404. PMID 30240230 DOI: 10.1103/Physrevlett.121.106404 |
0.565 |
|
| 2018 |
Rappe AM. Ionic gating drives correlated insulator-metal transition. Proceedings of the National Academy of Sciences of the United States of America. PMID 30206150 DOI: 10.1073/Pnas.1812913115 |
0.302 |
|
| 2018 |
Rivett JPH, Tan LZ, Price MB, Bourelle SA, Davis NJLK, Xiao J, Zou Y, Middleton R, Sun B, Rappe AM, Credgington D, Deschler F. Long-lived polarization memory in the electronic states of lead-halide perovskites from local structural dynamics. Nature Communications. 9: 3531. PMID 30166536 DOI: 10.1038/S41467-018-06009-3 |
0.573 |
|
| 2018 |
Gong SJ, Zheng F, Rappe AM. Phonon Influence on Bulk Photovoltaic Effect in the Ferroelectric Semiconductor GeTe. Physical Review Letters. 121: 017402. PMID 30028160 DOI: 10.1103/Physrevlett.121.017402 |
0.324 |
|
| 2018 |
Wieder BJ, Bradlyn B, Wang Z, Cano J, Kim Y, Kim HD, Rappe AM, Kane CL, Bernevig BA. Wallpaper fermions and the nonsymmorphic Dirac insulator. Science (New York, N.Y.). 361: 246-251. PMID 30026220 DOI: 10.1126/Science.Aan2802 |
0.313 |
|
| 2018 |
You L, Zheng F, Fang L, Zhou Y, Tan LZ, Zhang Z, Ma G, Schmidt D, Rusydi A, Wang L, Chang L, Rappe AM, Wang J. Enhancing ferroelectric photovoltaic effect by polar order engineering. Science Advances. 4: eaat3438. PMID 29984307 DOI: 10.1126/Sciadv.Aat3438 |
0.575 |
|
| 2018 |
Takenaka H, Grinberg I, Rappe AM. Seeing the forest and the trees. Nature Materials. PMID 29941921 DOI: 10.1038/S41563-018-0117-2 |
0.511 |
|
| 2018 |
Liu F, Fina I, Sauthier G, Sanchez F, Rappe AM, Fontcuberta J. Control of the polarization of ferroelectric capacitors by the concurrent action of light and adsorbates. Acs Applied Materials & Interfaces. PMID 29912550 DOI: 10.1021/Acsami.8B05751 |
0.333 |
|
| 2018 |
Wexler RB, Martirez JMP, Rappe AM. Chemical Pressure-Driven Enhancement of the Hydrogen Evolving Activity of NiP from Nonmetal Surface Doping Interpreted via Machine Learning. Journal of the American Chemical Society. PMID 29553728 DOI: 10.1021/Jacs.8B00947 |
0.783 |
|
| 2018 |
Agarwal R, Krook NM, Ren M, Tan LZ, Liu W, Rappe AM, Agarwal R. Anion Exchange in II-VI Semiconducting Nanostructures via Atomic Templating. Nano Letters. PMID 29406729 DOI: 10.1021/Acs.Nanolett.7B04424 |
0.563 |
|
| 2018 |
Debbichi L, Lee S, Cho H, Rappe AM, Hong KH, Jang MS, Kim H. Mixed Valence Perovskite Cs2 Au2 I6 : A Potential Material for Thin-Film Pb-Free Photovoltaic Cells with Ultrahigh Efficiency. Advanced Materials (Deerfield Beach, Fla.). PMID 29405438 DOI: 10.1002/Adma.201707001 |
0.331 |
|
| 2018 |
Tan H, Takenaka H, Xu C, Duan W, Grinberg I, Rappe AM. First-principles studies of the local structure and relaxor behavior of
Pb(Mg1/3Nb2/3)O3−PbTiO3
-derived ferroelectric perovskite solid solutions Physical Review B. 97. DOI: 10.1103/Physrevb.97.174101 |
0.548 |
|
| 2018 |
Yang J, Tan LZ, Rappe AM. Hybrid functional pseudopotentials Physical Review B. 97. DOI: 10.1103/Physrevb.97.085130 |
0.557 |
|
| 2018 |
Lim JS, Saldana-Greco D, Rappe AM. Improper magnetic ferroelectricity of nearly pure electronic nature in helicoidal spiral
CaMn7O12 Physical Review B. 97. DOI: 10.1103/Physrevb.97.045115 |
0.31 |
|
| 2018 |
Laursen AB, Wexler RB, Whitaker MJ, Izett EJ, Calvinho KUD, Hwang S, Rucker R, Wang H, Li J, Garfunkel E, Greenblatt M, Rappe AM, Dismukes GC. Climbing the Volcano of Electrocatalytic Activity while Avoiding Catalyst Corrosion: Ni3P, a Hydrogen Evolution Electrocatalyst Stable in Both Acid and Alkali Acs Catalysis. 8: 4408-4419. DOI: 10.1021/Acscatal.7B04466 |
0.777 |
|
| 2018 |
Qiu T, Tu B, Saldana-Greco D, Rappe AM. Ab Initio Simulation Explains the Enhancement of Catalytic Oxygen Evolution on CaMnO3 Acs Catalysis. 8: 2218-2224. DOI: 10.1021/Acscatal.7B03987 |
0.336 |
|
| 2018 |
Bernasconi A, Page K, Dai Z, Tan LZ, Rappe AM, Malavasi L. Ubiquitous Short-Range Distortion of Hybrid Perovskites and Hydrogen-Bonding Role: the MAPbCl3 Case The Journal of Physical Chemistry C. 122: 28265-28272. DOI: 10.1021/Acs.Jpcc.8B10086 |
0.54 |
|
| 2018 |
Gebhardt J, Rappe AM. Design of Metal-Halide Inverse-Hybrid Perovskites The Journal of Physical Chemistry C. 122: 13872-13883. DOI: 10.1021/Acs.Jpcc.8B01008 |
0.319 |
|
| 2018 |
Sarkar S, Yang J, Tan LZ, Rappe AM, Kronik L. Molecule-Adsorbed Topological Insulator and Metal Surfaces: A Comparative First-Principles Study Chemistry of Materials. 30: 1849-1855. DOI: 10.1021/Acs.Chemmater.7B03176 |
0.579 |
|
| 2017 |
Naylor CH, Parkin WM, Gao Z, Kang H, Noyan M, Wexler RB, Tan LZ, Kim Y, Kehayias CE, Streller F, Zhou YR, Carpick R, Luo Z, Park YW, Rappe AM, et al. Large-area synthesis of high-quality monolayer 1T'-WTe flakes. 2d Materials. 4. PMID 29707213 DOI: 10.1088/2053-1583/aa5921 |
0.788 |
|
| 2017 |
Wu X, Tan LZ, Shen X, Hu T, Miyata K, Trinh MT, Li R, Coffee R, Liu S, Egger DA, Makasyuk I, Zheng Q, Fry A, Robinson JS, Smith MD, ... ... Rappe AM, et al. Light-induced picosecond rotational disordering of the inorganic sublattice in hybrid perovskites. Science Advances. 3: e1602388. PMID 28782016 DOI: 10.1126/Sciadv.1602388 |
0.556 |
|
| 2017 |
Naylor CH, Parkin WM, Gao Z, Berry J, Zhou S, Zhang Q, McClimon JB, Tan LZ, Kehayias CE, Zhao MQ, Gona RS, Carpick RW, Rappe AM, Srolovitz DJ, Drndic M, et al. Synthesis and Physical Properties of Phase-Engineered Transition Metal Dichalcogenide Monolayer Heterostructures. Acs Nano. PMID 28767217 DOI: 10.1021/Acsnano.7B03828 |
0.562 |
|
| 2017 |
Paduani C, Rappe AM. Tuning the gap of lead-based halide perovskites by introducing superalkali species at the cationic sites of ABX3-type structure. Physical Chemistry Chemical Physics : Pccp. PMID 28737790 DOI: 10.1039/C7Cp02091K |
0.383 |
|
| 2017 |
Rappe AM, Grinberg I, Spanier JE. Getting a charge out of hybrid perovskites. Proceedings of the National Academy of Sciences of the United States of America. PMID 28663338 DOI: 10.1073/Pnas.1708154114 |
0.586 |
|
| 2017 |
Isarov M, Tan LZ, Bodnarchuk MI, Kovalenko MV, Rappe AM, Lifshitz E. Rashba effect in a single colloidal CsPbBr3 perovskite nanocrystal detected by magneto-optical measurements. Nano Letters. PMID 28657325 DOI: 10.1021/Acs.Nanolett.7B02248 |
0.54 |
|
| 2017 |
Takenaka H, Grinberg I, Liu S, Rappe AM. Slush-like polar structures in single-crystal relaxors. Nature. 546: 391-395. PMID 28617453 DOI: 10.1038/Nature22068 |
0.58 |
|
| 2017 |
Damodaran AR, Pandya S, Qi Y, Hsu SL, Liu S, Nelson C, Dasgupta A, Ercius P, Ophus C, Dedon LR, Agar JC, Lu H, Zhang J, Minor AM, Rappe AM, et al. Large polarization gradients and temperature-stable responses in compositionally-graded ferroelectrics. Nature Communications. 8: 14961. PMID 28488672 DOI: 10.1038/Ncomms14961 |
0.751 |
|
| 2017 |
Yaffe O, Guo Y, Tan LZ, Egger DA, Hull T, Stoumpos CC, Zheng F, Heinz TF, Kronik L, Kanatzidis MG, Owen JS, Rappe AM, Pimenta MA, Brus LE. Local Polar Fluctuations in Lead Halide Perovskite Crystals. Physical Review Letters. 118: 136001. PMID 28409968 DOI: 10.1103/Physrevlett.118.136001 |
0.556 |
|
| 2017 |
Tao J, Zheng F, Gebhardt J, Perdew JP, Rappe AM. Screened van der Waals correction to density functional theory for solids Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.020802 |
0.475 |
|
| 2017 |
Hawley CJ, Wu L, Xiao G, Grinberg I, Rappe AM, Davies PK, Spanier JE. Structural and ferroelectric phase evolution in
[KNbO3]1−x[BaNi1/2Nb1/2O3−δ]x
(x=0,0.1) Physical Review B. 96. DOI: 10.1103/Physrevb.96.054117 |
0.524 |
|
| 2017 |
Zheng F, Tao J, Rappe AM. Frequency-dependent dielectric function of semiconductors with application to physisorption Physical Review B. 95. DOI: 10.1103/Physrevb.95.035203 |
0.344 |
|
| 2017 |
Isarov M, Tan LZ, Tilchin J, Rabouw FT, Bodnarchuk MI, van Dijk-Moes RJA, Carmi R, Barak Y, Kostadinov A, Meir I, Vanmaekelbergh D, Kovalenko MV, Rappe AM, Lifshitz E. Polarized emission in II–VI and perovskite colloidal quantum dots Journal of Physics B: Atomic, Molecular and Optical Physics. 50: 214001. DOI: 10.1088/1361-6455/Aa8Dd4 |
0.537 |
|
| 2017 |
Spanier JE, Fridkin VM, Rappe AM, Akbashev AR, Polemi A, Qi Y, Gu Z, Young SM, Hawley CJ, Imbrenda D, Xiao G, Bennett-Jackson AL, Johnson CL. Reply to 'Reconsidering the Shockley–Queisser limit of a ferroelectric insulator device' Nature Photonics. 11: 330-330. DOI: 10.1038/Nphoton.2017.85 |
0.515 |
|
| 2017 |
Gebhardt J, Rappe AM. Adding to the Perovskite Universe: Inverse-Hybrid Perovskites Acs Energy Letters. 2: 2681-2685. DOI: 10.1021/Acsenergylett.7B00966 |
0.342 |
|
| 2017 |
Tan LZ, Zheng F, Rappe AM. Intermolecular Interactions in Hybrid Perovskites Understood from a Combined Density Functional Theory and Effective Hamiltonian Approach Acs Energy Letters. 2: 937-942. DOI: 10.1021/Acsenergylett.7B00159 |
0.574 |
|
| 2017 |
Wexler RB, Martirez JMP, Rappe AM. Active Role of Phosphorus in the Hydrogen Evolving Activity of Nickel Phosphide (0001) Surfaces Acs Catalysis. 7: 7718-7725. DOI: 10.1021/Acscatal.7B02761 |
0.778 |
|
| 2017 |
Gebhardt J, Kim Y, Rappe AM. Influence of the Dimensionality and Organic Cation on Crystal and Electronic Structure of Organometallic Halide Perovskites The Journal of Physical Chemistry C. 121: 6569-6574. DOI: 10.1021/Acs.Jpcc.7B00890 |
0.316 |
|
| 2017 |
Liu S, Zheng F, Rappe AM. Giant Bulk Photovoltaic Effect in Vinylene-Linked Hybrid Heterocyclic Polymer The Journal of Physical Chemistry C. 121: 6500-6507. DOI: 10.1021/Acs.Jpcc.7B00374 |
0.318 |
|
| 2016 |
Meirzadeh E, Azuri I, Qi Y, Ehre D, Rappe AM, Lahav M, Kronik L, Lubomirsky I. Origin and structure of polar domains in doped molecular crystals. Nature Communications. 7: 13351. PMID 27824050 DOI: 10.1038/Ncomms13351 |
0.326 |
|
| 2016 |
Zheng F, Tan LZ, Liu S, Rappe AM. Correction to Rashba Spin-Orbit Coupling Enhanced Carrier Lifetime in CH3NH3PbI3. Nano Letters. PMID 27792346 DOI: 10.1021/Acs.Nanolett.6B04300 |
0.547 |
|
| 2016 |
Straus DB, Hurtado Parra S, Iotov N, Gebhardt J, Rappe AM, Subotnik JE, Kikkawa JM, Kagan CR. Direct Observation of Electron-Phonon Coupling and Slow Vibrational Relaxation in Organic-Inorganic Hybrid Perovskites. Journal of the American Chemical Society. PMID 27706940 DOI: 10.1021/Jacs.6B08175 |
0.303 |
|
| 2016 |
Tan LZ, Rappe AM. Enhancement of the Bulk Photovoltaic Effect in Topological Insulators. Physical Review Letters. 116: 237402. PMID 27341257 DOI: 10.1103/Physrevlett.116.237402 |
0.579 |
|
| 2016 |
Streller F, Qi Y, Yang J, Mangolini F, Rappe AM, Carpick RW. Valence Band Control of Metal Silicide Films via Stoichiometry. The Journal of Physical Chemistry Letters. PMID 27322019 DOI: 10.1021/Acs.Jpclett.6B00799 |
0.764 |
|
| 2016 |
Liu S, Grinberg I, Rappe AM. Intrinsic ferroelectric switching from first principles. Nature. 534: 360-3. PMID 27306186 DOI: 10.1038/Nature18286 |
0.571 |
|
| 2016 |
Naylor CH, Parkin WM, Ping J, Gao Z, Zhou YR, Kim Y, Streller F, Carpick RW, Rappe AM, Drndic M, Kikkawa JM, Johnson AT. Monolayer single-crystal 1T'-MoTe2 grown by chemical vapor deposition exhibits a weak antilocalization effect. Nano Letters. PMID 27223343 DOI: 10.1021/Acs.Nanolett.6B01342 |
0.325 |
|
| 2016 |
Dastidar S, Egger DA, Tan LZ, Cromer SB, Dillon AD, Liu S, Kronik L, Rappe AM, Fafarman AT. High Chloride Doping Levels Stabilize the Perovskite Phase of Cesium Lead Iodide. Nano Letters. PMID 27135266 DOI: 10.1021/Acs.Nanolett.6B00635 |
0.573 |
|
| 2016 |
Liu S, Zheng F, Grinberg I, Rappe AM. Photoferroelectric and Photopiezoelectric Properties of Organometal Halide Perovskites. The Journal of Physical Chemistry Letters. PMID 27002247 DOI: 10.1021/Acs.Jpclett.6B00527 |
0.603 |
|
| 2016 |
Dong L, Kim Y, Er D, Rappe AM, Shenoy VB. Two-Dimensional π-Conjugated Covalent-Organic Frameworks as Quantum Anomalous Hall Topological Insulators. Physical Review Letters. 116: 096601. PMID 26991189 DOI: 10.1103/Physrevlett.116.096601 |
0.32 |
|
| 2016 |
Qi Y, Yang J, Rappe AM. Theoretical Modeling of Tribochemical Reaction on Pt and Au Contacts: Mechanical Load and Catalysis. Acs Applied Materials & Interfaces. PMID 26910803 DOI: 10.1021/Acsami.5B12350 |
0.749 |
|
| 2016 |
Egger DA, Rappe AM, Kronik L. Hybrid Organic-Inorganic Perovskites on the Move. Accounts of Chemical Research. PMID 26878152 DOI: 10.1021/Acs.Accounts.5B00540 |
0.362 |
|
| 2016 |
Liu S, Kim Y, Tan LZ, Rappe AM. Strain induced ferroelectric topological insulator. Nano Letters. PMID 26814668 DOI: 10.1021/Acs.Nanolett.5B04545 |
0.586 |
|
| 2016 |
Wang F, Young SM, Zheng F, Grinberg I, Rappe AM. Substantial bulk photovoltaic effect enhancement via nanolayering. Nature Communications. 7: 10419. PMID 26791545 DOI: 10.1038/Ncomms10419 |
0.703 |
|
| 2016 |
Yaffe O, Guo Y, Hull T, Stoumpos C, Tan LZ, Egger DA, Zheng F, Szpak G, Semonin OE, Beecher AN, Heinz TF, Kronik L, Rappe AM, Kanatzidis MG, Owen JS, et al. The nature of dynamic disorder in lead halide perovskite crystals(Conference Presentation) Proceedings of Spie. 9923. DOI: 10.1117/12.2236330 |
0.538 |
|
| 2016 |
Chen F, Zhu Y, Liu S, Qi Y, Hwang HY, Brandt NC, Lu J, Quirin F, Enquist H, Zalden P, Hu T, Goodfellow J, Sher M, Hoffmann MC, Zhu D, ... ... Rappe AM, et al. Ultrafast terahertz-field-driven ionic response in ferroelectric
BaTiO3 Physical Review B. 94. DOI: 10.1103/Physrevb.94.180104 |
0.326 |
|
| 2016 |
Qi Y, Liu S, Grinberg I, Rappe AM. Atomistic description for temperature-driven phase transitions in
BaTiO3 Physical Review B. 94. DOI: 10.1103/Physrevb.94.134308 |
0.57 |
|
| 2016 |
Schick JT, Rappe AM. Classical model of negative thermal expansion in solids with expanding bonds Physical Review B. 93. DOI: 10.1103/Physrevb.93.214304 |
0.307 |
|
| 2016 |
Zheng F, Brehm JA, Young SM, Kim Y, Rappe AM. Substantial optical dielectric enhancement by volume compression in LiAsSe2 Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.195210 |
0.764 |
|
| 2016 |
Tan LZ, Zheng F, Young SM, Wang F, Liu S, Rappe AM. Shift current bulk photovoltaic effect in polar materials—hybrid and oxide perovskites and beyond Npj Computational Materials. 2. DOI: 10.1038/npjcompumats.2016.26 |
0.634 |
|
| 2016 |
Spanier JE, Fridkin VM, Rappe AM, Akbashev AR, Polemi A, Qi Y, Gu Z, Young SM, Hawley CJ, Imbrenda D, Xiao G, Bennett-Jackson AL, Johnson CL. Power conversion efficiency exceeding the Shockley-Queisser limit in a ferroelectric insulator Nature Photonics. 10: 611-616. DOI: 10.1038/Nphoton.2016.143 |
0.561 |
|
| 2016 |
Martin LW, Rappe AM. Thin-film ferroelectric materials and their applications Nature Reviews Materials. 2. DOI: 10.1038/Natrevmats.2016.87 |
0.318 |
|
| 2016 |
Wexler RB, Martirez JMP, Rappe AM. Stable Phosphorus-Enriched (0001) Surfaces of Nickel Phosphides Chemistry of Materials. 28: 5365-5372. DOI: 10.1021/Acs.Chemmater.6B01437 |
0.777 |
|
| 2016 |
Krick AL, Lee CW, Sichel-Tissot RJ, Rappe AM, May SJ. Interplay between Cation and Charge Ordering in La1/3Sr2/3FeO3 Superlattices Advanced Electronic Materials. 2. DOI: 10.1002/Aelm.201500372 |
0.597 |
|
| 2015 |
Jablonski ML, Liu S, Winkler C, Damodaran AR, Grinberg I, Martin LW, Rappe AM, Taheri ML. Asymmetric Response of Ferroelastic Domain Wall Motion Under Applied Bias. Acs Applied Materials & Interfaces. PMID 26695346 DOI: 10.1021/Acsami.5B08312 |
0.527 |
|
| 2015 |
Zheng F, Saldana-Greco D, Liu S, Rappe AM. Material Innovation in Advancing Organometal Halide Perovskite Functionality. The Journal of Physical Chemistry Letters. 6: 4862-72. PMID 26631361 DOI: 10.1021/Acs.Jpclett.5B01830 |
0.304 |
|
| 2015 |
Zheng F, Tan LZ, Liu S, Rappe AM. Rashba Spin-Orbit Coupling Enhanced Carrier Lifetime in CH3NH3PbI3. Nano Letters. PMID 26461166 DOI: 10.1021/Acs.Nanolett.5B01854 |
0.547 |
|
| 2015 |
Chen F, Goodfellow J, Liu S, Grinberg I, Hoffmann MC, Damodaran AR, Zhu Y, Zalden P, Zhang X, Takeuchi I, Rappe AM, Martin LW, Wen H, Lindenberg AM. Ultra-fast Terahertz Gating of the Polarization and Giant Nonlinear Optical Response in BiFeO3 Thin Films. Advanced Materials (Deerfield Beach, Fla.). PMID 26389651 DOI: 10.1002/Adma.201502975 |
0.533 |
|
| 2015 |
Kim Y, Kane CL, Mele EJ, Rappe AM. Layered Topological Crystalline Insulators. Physical Review Letters. 115: 086802. PMID 26340198 DOI: 10.1103/Physrevlett.115.086802 |
0.544 |
|
| 2015 |
Zheng F, Takenaka H, Wang F, Koocher NZ, Rappe AM. First-Principles Calculation of the Bulk Photovoltaic Effect in CH3NH3PbI3 and CH3NH3PbI(3-x)Cl(x). The Journal of Physical Chemistry Letters. 6: 31-7. PMID 26263087 DOI: 10.1021/Jz502109E |
0.319 |
|
| 2015 |
Kim Y, Wieder BJ, Kane CL, Rappe AM. Dirac Line Nodes in Inversion-Symmetric Crystals. Physical Review Letters. 115: 036806. PMID 26230819 DOI: 10.1103/Physrevlett.115.036806 |
0.312 |
|
| 2015 |
Egger DA, Kronik L, Rappe AM. Theory of Hydrogen Migration in Organic-Inorganic Halide Perovskites. Angewandte Chemie (International Ed. in English). PMID 26073061 DOI: 10.1002/Anie.201502544 |
0.323 |
|
| 2015 |
Tao J, Yang J, Rappe AM. Dynamical screening of van der Waals interactions in nanostructured solids: Sublimation of fullerenes. The Journal of Chemical Physics. 142: 164302. PMID 25933759 DOI: 10.1063/1.4918761 |
0.356 |
|
| 2015 |
Martirez JM, Kim S, Morales EH, Diroll BT, Cargnello M, Gordon TR, Murray CB, Bonnell DA, Rappe AM. Synergistic oxygen evolving activity of a TiO2-rich reconstructed SrTiO3(001) surface. Journal of the American Chemical Society. 137: 2939-47. PMID 25664759 DOI: 10.1021/Ja511332Y |
0.327 |
|
| 2015 |
Xu R, Liu S, Grinberg I, Karthik J, Damodaran AR, Rappe AM, Martin LW. Ferroelectric polarization reversal via successive ferroelastic transitions. Nature Materials. 14: 79-86. PMID 25344784 DOI: 10.1038/Nmat4119 |
0.548 |
|
| 2015 |
Kim S, Sinai O, Lee CW, Rappe AM. Controlling oxide surface dipole and reactivity with intrinsic nonstoichiometric epitaxial reconstructions Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.235431 |
0.581 |
|
| 2015 |
Wang F, Rappe AM. First-principles calculation of the bulk photovoltaic effect in KNbO3 and (K,Ba)(Ni,Nb) O3-δ Physical Review B - Condensed Matter and Materials Physics. 91. DOI: 10.1103/Physrevb.91.165124 |
0.33 |
|
| 2015 |
Young SM, Zheng F, Rappe AM. First-principles materials design of high-performing bulk photovoltaics with the LiNb O3 structure Physical Review Applied. 4. DOI: 10.1103/Physrevapplied.4.054004 |
0.605 |
|
| 2015 |
Wang F, Grinberg I, Jiang L, Young SM, Davies PK, Rappe AM. Materials design of visible-light ferroelectric photovoltaics from first principles Ferroelectrics. 483: 1-12. DOI: 10.1080/00150193.2015.1058096 |
0.688 |
|
| 2015 |
Huon A, Lang AC, Saldana-Greco D, Lim JS, Moon EJ, Rappe AM, Taheri ML, May SJ. Electronic transition above room temperature in CaMn7O12 films Applied Physics Letters. 107. DOI: 10.1063/1.4932132 |
0.337 |
|
| 2014 |
Koocher NZ, Martirez JM, Rappe AM. Theoretical Model of Oxidative Adsorption of Water on a Highly Reduced Reconstructed Oxide Surface. The Journal of Physical Chemistry Letters. 5: 3408-14. PMID 26278454 DOI: 10.1021/Jz501635F |
0.312 |
|
| 2014 |
Brehm JA, Young SM, Zheng F, Rappe AM. First-principles calculation of the bulk photovoltaic effect in the polar compounds LiAsS2, LiAsSe2, and NaAsSe2. The Journal of Chemical Physics. 141: 204704. PMID 25429954 DOI: 10.1063/1.4901433 |
0.771 |
|
| 2014 |
Saidi WA, Martirez JM, Rappe AM. Strong reciprocal interaction between polarization and surface stoichiometry in oxide ferroelectrics. Nano Letters. 14: 6711-7. PMID 25322070 DOI: 10.1021/Nl5035013 |
0.342 |
|
| 2014 |
Brehm JA, Bennett JW, Schoenberg MR, Grinberg I, Rappe AM. The structural diversity of ABS₃ compounds with d⁰ electronic configuration for the B-cation. The Journal of Chemical Physics. 140: 224703. PMID 24929410 DOI: 10.1063/1.4879659 |
0.791 |
|
| 2014 |
Tao J, Rappe AM. Physical adsorption: theory of van der Waals interactions between particles and clean surfaces. Physical Review Letters. 112: 106101. PMID 24679308 DOI: 10.1103/Physrevlett.112.106101 |
0.339 |
|
| 2014 |
Steinberg JA, Young SM, Zaheer S, Kane CL, Mele EJ, Rappe AM. Bulk Dirac points in distorted spinels. Physical Review Letters. 112: 036403. PMID 24484151 DOI: 10.1103/Physrevlett.112.036403 |
0.697 |
|
| 2014 |
Jiang L, Grinberg I, Wang F, Young SM, Davies PK, Rappe AM. Semiconducting ferroelectric perovskites with intermediate bands via B -site Bi5+ doping Physical Review B - Condensed Matter and Materials Physics. 90. DOI: 10.1103/Physrevb.90.075153 |
0.655 |
|
| 2014 |
Jiang L, Saldana-Greco D, Schick JT, Rappe AM. Enhanced charge ordering transition in doped CaFeO3 through steric templating Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.235106 |
0.32 |
|
| 2014 |
Wang F, Grinberg I, Rappe AM. Semiconducting ferroelectric photovoltaics through Zn2+ doping into KNbO3 and polarization rotation Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.235105 |
0.54 |
|
| 2014 |
Schick JT, Jiang L, Saldana-Greco D, Rappe AM. Coupling between octahedral rotations and local polar displacements in W O3 / Re O3 superlattices Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.195304 |
0.328 |
|
| 2014 |
Brehm JA, Takenaka H, Lee CW, Grinberg I, Bennett JW, Schoenberg MR, Rappe AM. Density functional theory study of hypothetical PbTiO3 -based oxysulfides Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.195202 |
0.795 |
|
| 2014 |
Shi J, Grinberg I, Wang X, Rappe AM. Atomic sublattice decomposition of piezoelectric response in tetragonal Pb Ti O 3, Ba Ti O 3, and K Nb O 3 Physical Review B - Condensed Matter and Materials Physics. 89. DOI: 10.1103/Physrevb.89.094105 |
0.533 |
|
| 2014 |
Takenaka H, Grinberg I, Shin YH, Rappe AM. Computational studies of lead-based relaxor ferroelectrics Ferroelectrics. 469: 1-13. DOI: 10.1080/00150193.2014.948341 |
0.574 |
|
| 2014 |
Wang F, Grinberg I, Rappe AM. Band gap engineering strategy via polarization rotation in perovskite ferroelectrics Applied Physics Letters. 104. DOI: 10.1063/1.4871707 |
0.581 |
|
| 2013 |
Takenaka H, Grinberg I, Rappe AM. Anisotropic local correlations and dynamics in a relaxor ferroelectric. Physical Review Letters. 110: 147602. PMID 25167037 DOI: 10.1103/Physrevlett.110.147602 |
0.558 |
|
| 2013 |
Grinberg I, West DV, Torres M, Gou G, Stein DM, Wu L, Chen G, Gallo EM, Akbashev AR, Davies PK, Spanier JE, Rappe AM. Perovskite oxides for visible-light-absorbing ferroelectric and photovoltaic materials. Nature. 503: 509-12. PMID 24213630 DOI: 10.1038/Nature12622 |
0.592 |
|
| 2013 |
Han GH, Rodríguez-Manzo JA, Lee CW, Kybert NJ, Lerner MB, Qi ZJ, Dattoli EN, Rappe AM, Drndic M, Johnson AT. Continuous growth of hexagonal graphene and boron nitride in-plane heterostructures by atmospheric pressure chemical vapor deposition. Acs Nano. 7: 10129-38. PMID 24182310 DOI: 10.1021/Nn404331F |
0.568 |
|
| 2013 |
Young SM, Zheng F, Rappe AM. Prediction of a linear spin bulk photovoltaic effect in antiferromagnets. Physical Review Letters. 110: 057201. PMID 23414042 DOI: 10.1103/Physrevlett.110.057201 |
0.558 |
|
| 2013 |
Liu S, Grinberg I, Rappe AM. Development of a bond-valence based interatomic potential for BiFeO3 for accurate molecular dynamics simulations. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 25: 102202. PMID 23399759 DOI: 10.1088/0953-8984/25/10/102202 |
0.572 |
|
| 2013 |
Liu S, Grinberg I, Takenaka H, Rappe AM. Reinterpretation of the bond-valence model with bond-order formalism: An improved bond-valence-based interatomic potential for PbTiO3 Physical Review B - Condensed Matter and Materials Physics. 88. DOI: 10.1103/Physrevb.88.104102 |
0.551 |
|
| 2013 |
Zaheer S, Young SM, Cellucci D, Teo JCY, Kane CL, Mele EJ, Rappe AM. Spin texture on the Fermi surface of tensile-strained HgTe Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.045202 |
0.665 |
|
| 2013 |
Liu S, Grinberg I, Rappe AM. Exploration of the intrinsic inertial response of ferroelectric domain walls via molecular dynamics simulations Applied Physics Letters. 103. DOI: 10.1063/1.4832421 |
0.542 |
|
| 2013 |
Kocia L, Young SM, Kholod YA, Fayer MD, Gordon MS, Rappe AM. Theoretical examination of picosecond phenol migration dynamics in phenylacetylene solution Chemical Physics. 422: 175-183. DOI: 10.1016/J.Chemphys.2013.04.015 |
0.565 |
|
| 2013 |
Liu S, Grinberg I, Rappe AM. Application of bond-valence theory for developing efficient interatomic potential for oxides Engineering Sciences and Fundamentals 2013 - Core Programming Area At the 2013 Aiche Annual Meeting: Global Challenges For Engineering a Sustainable Future. 2: 1128-1129. |
0.489 |
|
| 2012 |
Martirez JM, Morales EH, Saidi WA, Bonnell DA, Rappe AM. Atomic and Electronic Structure of the BaTiO(3)(001) (sqrt[5] × sqrt[5])R26.6° Surface Reconstruction. Physical Review Letters. 109: 256802. PMID 23368487 DOI: 10.1103/Physrevlett.109.256802 |
0.355 |
|
| 2012 |
Young SM, Zheng F, Rappe AM. First-principles calculation of the bulk photovoltaic effect in bismuth ferrite. Physical Review Letters. 109: 236601. PMID 23368233 DOI: 10.1103/Physrevlett.109.236601 |
0.575 |
|
| 2012 |
Young SM, Rappe AM. First principles calculation of the shift current photovoltaic effect in ferroelectrics. Physical Review Letters. 109: 116601. PMID 23005660 DOI: 10.1103/Physrevlett.109.116601 |
0.611 |
|
| 2012 |
Jiang L, Levchenko SV, Rappe AM. Rigorous definition of oxidation states of ions in solids. Physical Review Letters. 108: 166403. PMID 22680739 DOI: 10.1103/Physrevlett.108.166403 |
0.633 |
|
| 2012 |
Young SM, Zaheer S, Teo JC, Kane CL, Mele EJ, Rappe AM. Dirac semimetal in three dimensions. Physical Review Letters. 108: 140405. PMID 22540776 DOI: 10.1103/Physrevlett.108.140405 |
0.659 |
|
| 2012 |
Daranciang D, Highland MJ, Wen H, Young SM, Brandt NC, Hwang HY, Vattilana M, Nicoul M, Quirin F, Goodfellow J, Qi T, Grinberg I, Fritz DM, Cammarata M, Zhu D, ... ... Rappe AM, et al. Ultrafast photovoltaic response in ferroelectric nanolayers. Physical Review Letters. 108: 087601. PMID 22463572 DOI: 10.1103/Physrevlett.108.087601 |
0.738 |
|
| 2012 |
GRINBERG I, TAKENAKA H, SHIN Y, RAPPE AM. PREDICTION OF DIELECTRIC DISPERSION FOR LEAD BASED PEROVSKITES AND STUDY OF LOCAL DIELECTRIC RESPONSE IN 0.75Pb(Mg1/3Nb2/3)O3–0.25PbTiO3 Journal of Advanced Dielectrics. 2: 1241009. DOI: 10.1142/S2010135X12410093 |
0.566 |
|
| 2012 |
Méndez Polanco MA, Grinberg I, Kolpak AM, Levchenko SV, Pynn C, Rappe AM. Stabilization of highly polarized PbTiO 3 nanoscale capacitors due to in-plane symmetry breaking at the interface Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.214107 |
0.777 |
|
| 2011 |
Srinivasan S, Lee MW, Grady MC, Soroush M, Rappe AM. Computational evidence for self-initiation in spontaneous high-temperature polymerization of methyl methacrylate. The Journal of Physical Chemistry. A. 115: 1125-32. PMID 21265525 DOI: 10.1021/Jp107704H |
0.536 |
|
| 2011 |
Kim S, Schoenberg MR, Rappe AM. Kinetics of palladium particles on LiNbO3: An origin of the polarization-dependent catalysis Materials Research Society Symposium Proceedings. 1397: 7-13. DOI: 10.1557/Opl.2012.259 |
0.336 |
|
| 2011 |
Qi T, Grinberg I, Bennett JW, Shin YH, Rappe AM, Yeh KL, Nelson KA. Studies of perovskite materials for high-performance storage media, piezoelectric, and solar energy conversion devices Proceedings - 2010 Dod High Performance Computing Modernization Program Users Group Conference, Hpcmp Ugc 2010. 249-258. DOI: 10.1109/HPCMP-UGC.2010.19 |
0.686 |
|
| 2011 |
Qi T, Curnan MT, Kim S, Bennett JW, Grinberg I, Rappe AM. First-principles study of band gap engineering via oxygen vacancy doping in perovskite ABB ′O 3 solid solutions Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.245206 |
0.736 |
|
| 2011 |
Gou G, Grinberg I, Rappe AM, Rondinelli JM. Lattice normal modes and electronic properties of the correlated metal LaNiO3 Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.144101 |
0.596 |
|
| 2011 |
Young SM, Chowdhury S, Walter EJ, Mele EJ, Kane CL, Rappe AM. Theoretical investigation of the evolution of the topological phase of Bi2Se3 under mechanical strain Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.085106 |
0.775 |
|
| 2011 |
Qi T, Grinberg I, Rappe AM. Band-gap engineering via local environment in complex oxides Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.224108 |
0.667 |
|
| 2011 |
Gou GY, Bennett JW, Takenaka H, Rappe AM. Post density functional theoretical studies of highly polar semiconductive Pb(Ti1-xNix)O3-x solid solutions: Effects of cation arrangement on band gap Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.205115 |
0.583 |
|
| 2011 |
Bennett JW, Grinberg I, Davies PK, Rappe AM. Pb-free ferroelectrics investigated with density functional theory: SnAl1/2Nb1/2O3 perovskites Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.144112 |
0.7 |
|
| 2011 |
Stein DM, Grinberg I, Rappe AM, Davies PK. Multiple dielectric transitions in the PbTiO3-Bi(Zn 1/2Ti1/2)O3-Bi(Mg1/2Ti 1/2)O3 system Journal of Applied Physics. 110. DOI: 10.1063/1.3646559 |
0.551 |
|
| 2010 |
Srinivasan S, Lee MW, Grady MC, Soroush M, Rappe AM. Self-initiation mechanism in spontaneous thermal polymerization of ethyl and n-butyl acrylate: a theoretical study. The Journal of Physical Chemistry. A. 114: 7975-83. PMID 20666544 DOI: 10.1021/Jp102772V |
0.52 |
|
| 2010 |
Bennett JW, Grinberg I, Davies PK, Rappe AM. Pb-free semiconductor ferroelectrics: A theoretical study of Pd-substituted Ba ( Ti1-x Cex ) O3 solid solutions Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.184106 |
0.682 |
|
| 2010 |
Al-Saidi WA, Rappe AM. Density functional study of PbTiO3 nanocapacitors with Pt and Au electrodes Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.155304 |
0.309 |
|
| 2010 |
Qi T, Grinberg I, Rappe AM. Correlations between tetragonality, polarization, and ionic displacement in PbTiO3-derived ferroelectric perovskite solid solutions Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.134113 |
0.641 |
|
| 2010 |
Aravind VR, Morozovska AN, Bhattacharyya S, Lee D, Jesse S, Grinberg I, Li YL, Choudhury S, Wu P, Seal K, Rappe AM, Svechnikov SV, Eliseev EA, Phillpot SR, Chen LQ, et al. Correlated polarization switching in the proximity of a 180°domain wall Physical Review B - Condensed Matter and Materials Physics. 82. DOI: 10.1103/Physrevb.82.024111 |
0.547 |
|
| 2009 |
Grinberg I, Shin YH, Rappe AM. Molecular dynamics study of dielectric response in a relaxor ferroelectric. Physical Review Letters. 103: 197601. PMID 20365954 DOI: 10.1103/Physrevlett.103.197601 |
0.556 |
|
| 2009 |
Srinivasan S, Lee MW, Grady MC, Soroush M, Rappe AM. Computational study of the self-initiation mechanism in thermal polymerization of methyl acrylate. The Journal of Physical Chemistry. A. 113: 10787-94. PMID 19791812 DOI: 10.1021/Jp904036K |
0.527 |
|
| 2009 |
Qi T, Shin YH, Yeh KL, Nelson KA, Rappe AM. Collective coherent control: synchronization of polarization in ferroelectric PbTiO3 by shaped THz fields. Physical Review Letters. 102: 247603. PMID 19659049 DOI: 10.1103/Physrevlett.102.247603 |
0.51 |
|
| 2009 |
Mason SE, Sokol EA, Cooper VR, Rappe AM. Spontaneous formation of dipolar metal nanoclusters. The Journal of Physical Chemistry. A. 113: 4134-7. PMID 19290645 DOI: 10.1021/Jp8105088 |
0.769 |
|
| 2009 |
Wang RV, Fong DD, Jiang F, Highland MJ, Fuoss PH, Thompson C, Kolpak AM, Eastman JA, Streiffer SK, Rappe AM, Stephenson GB. Reversible chemical switching of a ferroelectric film. Physical Review Letters. 102: 047601. PMID 19257476 DOI: 10.1103/Physrevlett.102.047601 |
0.659 |
|
| 2009 |
Qi T, Levchenko SV, Bennett JW, Grinberg I, Rappe AM. New prospects for high performance SONAR, chemical sensor, and communication device materials Department of Defense Proceedings of the High Performance Computing Modernization Program - Users Group Conference, Hpcmp-Ugc 2009. 197-204. DOI: 10.1109/HPCMP-UGC.2009.34 |
0.756 |
|
| 2009 |
Wu X, Walter EJ, Rappe AM, Car R, Selloni A. Hybrid density functional calculations of the band gap of Gax In1-x N Physical Review B - Condensed Matter and Materials Physics. 80. DOI: 10.1103/Physrevb.80.115201 |
0.679 |
|
| 2009 |
Bennett JW, Grinberg I, Rappe AM. Effect of substituting of S for O: The sulfide perovskite BaZrS3 investigated with density functional theory Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.235115 |
0.656 |
|
| 2009 |
Qi T, Grinberg I, Rappe AM. First-principles investigation of the highly tetragonal ferroelectric material Bi (Zn1/2 Ti1/2) O3 Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.094114 |
0.682 |
|
| 2008 |
Bennett JW, Grinberg I, Rappe AM. New highly polar semiconductor ferroelectrics through d8 cation-O vacancy substitution into PbTiO3: a theoretical study. Journal of the American Chemical Society. 130: 17409-12. PMID 19053459 DOI: 10.1021/Ja8052249 |
0.7 |
|
| 2008 |
Kolpak AM, Li D, Shao R, Rappe AM, Bonnell DA. Evolution of the structure and thermodynamic stability of the BaTiO3(001) surface. Physical Review Letters. 101: 036102. PMID 18764267 DOI: 10.1103/Physrevlett.101.036102 |
0.669 |
|
| 2008 |
Levchenko SV, Rappe AM. Influence of ferroelectric polarization on the equilibrium stoichiometry of lithium niobate (0001) surfaces. Physical Review Letters. 100: 256101. PMID 18643676 DOI: 10.1103/Physrevlett.100.256101 |
0.648 |
|
| 2008 |
Li D, Zhao MH, Garra J, Kolpak AM, Rappe AM, Bonnell DA, Vohs JM. Direct in situ determination of the polarization dependence of physisorption on ferroelectric surfaces. Nature Materials. 7: 473-7. PMID 18469819 DOI: 10.1038/Nmat2198 |
0.649 |
|
| 2008 |
Bennett JW, Grinberg I, Shin YH, Rappe AM. Modeling of materials for naval sonar, pollution control and nonvolatile memory application 2008 Proceedings of the Department of Defense High Performance Computing Modernization Program: Users Group Conference - Solving the Hard Problems. 214-220. DOI: 10.1109/DoD.HPCMP.UGC.2008.77 |
0.597 |
|
| 2008 |
Al-Saidi WA, Walter EJ, Rappe AM. Optimized norm-conserving Hartree-Fock pseudopotentials for plane-wave calculations Physical Review B - Condensed Matter and Materials Physics. 77. DOI: 10.1103/Physrevb.77.075112 |
0.662 |
|
| 2008 |
Shin YH, Son JY, Lee BJ, Grinberg I, Rappe AM. Order-disorder character of PbTiO3 Journal of Physics Condensed Matter. 20. DOI: 10.1088/0953-8984/20/01/015224 |
0.553 |
|
| 2008 |
Mason SE, Grinberg I, Rappe AM. Orbital-specific analysis of CO chemisorption on transition-metal surfaces Journal of Physical Chemistry C. 112: 1963-1966. DOI: 10.1021/Jp075355K |
0.699 |
|
| 2008 |
Bennett JW, Grinberg I, Rappe AM. Nonmonotonic composition dependence of the dielectric response of Ba 1-xCaxZrO3 Chemistry of Materials. 20: 5134-5138. DOI: 10.1021/Cm800929E |
0.655 |
|
| 2008 |
Shah SH, Bristowe PD, Kolpak AM, Rappe AM. First principles study of three-component SrTiO3/BaTiO 3/PbTiO3 ferroelectric superlattices Journal of Materials Science. 43: 3750-3760. DOI: 10.1007/S10853-007-2212-7 |
0.651 |
|
| 2008 |
Bennett JW, Grinberg I, Rappe AM. Decreasing the band gap: Highly polarized oxides for solar conversion Acs National Meeting Book of Abstracts. |
0.621 |
|
| 2008 |
Srinivasan S, Lee MW, Grady MC, Soroush M, Rappe AM. High temperature self-initiation in ethyl acrylate polymerization. A computational study Aiche Annual Meeting, Conference Proceedings. |
0.399 |
|
| 2008 |
Srinivasan S, Lee MW, Grady MC, Soroush M, Rappe AM. Mechanism of spontaneous initiation in high-temperature polymerization of N-butyl acrylate: A theoretical study Aiche Annual Meeting, Conference Proceedings. |
0.413 |
|
| 2007 |
Grinberg I, Juhás P, Davies PK, Rappe AM. Relationship between local structure and relaxor behavior in perovskite oxides. Physical Review Letters. 99: 267603. PMID 18233605 DOI: 10.1103/Physrevlett.99.267603 |
0.57 |
|
| 2007 |
Shin YH, Grinberg I, Chen IW, Rappe AM. Nucleation and growth mechanism of ferroelectric domain-wall motion. Nature. 449: 881-4. PMID 17922002 DOI: 10.1038/Nature06165 |
0.538 |
|
| 2007 |
Kolpak AM, Grinberg I, Rappe AM. Polarization effects on the surface chemistry of PbTiO3-supported Pt films. Physical Review Letters. 98: 166101. PMID 17501432 DOI: 10.1103/Physrevlett.98.166101 |
0.75 |
|
| 2007 |
Grinberg I, Rappe AM. Nonmonotonic TC trends in bi-based ferroelectric perovskite solid solutions. Physical Review Letters. 98: 037603. PMID 17358730 DOI: 10.1103/Physrevlett.98.037603 |
0.573 |
|
| 2007 |
Grinberg I, Suchomel MR, Dmowski W, Mason SE, Wu H, Davies PK, Rappe AM. Structure and polarization in the high Tc ferroelectric Bi(Zn,Ti)O3-PbTiO3 solid solutions. Physical Review Letters. 98: 107601. PMID 17358566 DOI: 10.1103/Physrevlett.98.107601 |
0.689 |
|
| 2007 |
Grinberg I, Kolpak AM, Shin YH, Rappe AM. Modeling of materials for naval SONAR, pollution control, and nonvolatile memory application Department of Defense - Proceedings of the Hpcmp Users Group Conference 2007; High Performance Computing Modernization Program: a Bridge to Future Defense, Dod Hpcmp Ugc. 177-184. DOI: 10.1109/HPCMP-UGC.2007.49 |
0.671 |
|
| 2007 |
Grinberg I, Rappe AM. First principles calculations, crystal chemistry and properties of ferroelectric perovskites Phase Transitions. 80: 351-368. DOI: 10.1080/01411590701228505 |
0.599 |
|
| 2007 |
Lee MW, Levchenko SV, Rappe AM. Force calculation of polyatomic molecules in quantum Monte Carlo using Pulay's corrections Molecular Physics. 105: 2493-2497. DOI: 10.1080/00268970701537947 |
0.688 |
|
| 2007 |
Li J, Singh UG, Bennett JW, Page K, Weaver JC, Zhang JP, Proffen T, Rappe AM, Scott S, Seshadri R. BaCe1-xPdxO3-δ (0 ≤ x ≤ 0.1): Redox controlled ingress and egress of palladium in a perovskite Chemistry of Materials. 19: 1418-1426. DOI: 10.1021/Cm062500I |
0.516 |
|
| 2007 |
Singh UG, Li J, Bennett JW, Rappe AM, Seshadri R, Scott SL. A Pd-doped perovskite catalyst, BaCe1 - x Pdx O3 - δ, for CO oxidation Journal of Catalysis. 249: 349-358. DOI: 10.1016/J.Jcat.2007.04.023 |
0.538 |
|
| 2007 |
Kolpak AM, Grinberg I, Rappe AM. Ferroelectric PbTiO3-supported Pt films as tunable catalysts Acs National Meeting Book of Abstracts. |
0.672 |
|
| 2007 |
Lee MW, Mella M, Rappe AM. Electronic quantum Monte Carlo calculations of energies and atomic forces for diatomic and polyatomic molecules Acs Symposium Series. 953: 69-79. |
0.458 |
|
| 2006 |
Spanier JE, Kolpak AM, Urban JJ, Grinberg I, Ouyang L, Yun WS, Rappe AM, Park H. Ferroelectric phase transition in individual single-crystalline BaTiO3 nanowires. Nano Letters. 6: 735-9. PMID 16608274 DOI: 10.1021/Nl052538E |
0.733 |
|
| 2006 |
Fong DD, Kolpak AM, Eastman JA, Streiffer SK, Fuoss PH, Stephenson GB, Thompson C, Kim DM, Choi KJ, Eom CB, Grinberg I, Rappe AM. Stabilization of monodomain polarization in ultrathin PbTiO3 films. Physical Review Letters. 96: 127601. PMID 16605959 DOI: 10.1103/Physrevlett.96.127601 |
0.728 |
|
| 2006 |
Mason SE, Grinberg I, Rappe AM. Adsorbate-adsorbate interactions and chemisorption at different coverages studied by accurate ab initio calculations: CO on transition metal surfaces. The Journal of Physical Chemistry. B. 110: 3816-22. PMID 16494441 DOI: 10.1021/Jp0548669 |
0.693 |
|
| 2006 |
Kolpak AM, Grinberg I, Rappe AM, Brown ST. New ferroelectrics for naval SONAR and modeling of nanoscale ferroelectric nonvolatile memory materials Proceedings - Hpcmp Users Group Conference, Ugc 2006. 205-211. DOI: 10.1109/HPCMP-UGC.2006.50 |
0.677 |
|
| 2006 |
Kolpak AM, Sai N, Rappe AM. Publisher's Note: Short-circuit boundary conditions in ferroelectricPbTiO3thin films [Phys. Rev. B74, 054112 (2006)] Physical Review B. 74. DOI: 10.1103/Physrevb.74.099901 |
0.599 |
|
| 2006 |
Sai N, Kolpak AM, Rappe AM. Erratum: Ferroelectricity in ultrathin perovskite films [Phys. Rev. B72, 020101(R) (2005)] Physical Review B. 74. DOI: 10.1103/Physrevb.74.059901 |
0.604 |
|
| 2006 |
Kolpak AM, Sai N, Rappe AM. Short-circuit boundary conditions in ferroelectric PbTi O3 thin films: Density-functional theory calculations Physical Review B - Condensed Matter and Materials Physics. 74. DOI: 10.1103/Physrevb.74.054112 |
0.645 |
|
| 2006 |
Bennett JW, Grinberg I, Rappe AM. Effect of symmetry lowering on the dielectric response of BaZrO3 Physical Review B - Condensed Matter and Materials Physics. 73. DOI: 10.1103/Physrevb.73.180102 |
0.686 |
|
| 2005 |
Lee MW, Mella M, Rappe AM. Electronic quantum Monte Carlo calculations of atomic forces, vibrations, and anharmonicities. The Journal of Chemical Physics. 122: 244103. PMID 16035742 DOI: 10.1063/1.1924690 |
0.52 |
|
| 2005 |
Cooper VR, Kolpak AM, Yourdshahyan Y, Rappe AM. Supported metal electronic structure: Implications for molecular adsorption Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.081409 |
0.795 |
|
| 2005 |
Sai N, Kolpak AM, Rappe AM. Ferroelectricity in ultrathin perovskite films Physical Review B - Condensed Matter and Materials Physics. 72. DOI: 10.1103/Physrevb.72.020101 |
0.643 |
|
| 2005 |
Shin YH, Cooper VR, Grinberg I, Rappe AM. Development of a bond-valence molecular-dynamics model for complex oxides Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.054104 |
0.774 |
|
| 2005 |
Bocquet ML, Rappe AM, Dai HL. A density functional theory study of adsorbate-induced work function change and binding energy: Olefins on Ag(111) Molecular Physics. 103: 883-890. DOI: 10.1080/00268970412331333609 |
0.32 |
|
| 2005 |
Grinberg I, Suchomel MR, Davies PK, Rappe AM. Predicting morphotropic phase boundary locations and transition temperatures in Pb- and Bi-based perovskite solid solutions from crystal chemical data and first-principles calculations Journal of Applied Physics. 98. DOI: 10.1063/1.2128049 |
0.569 |
|
| 2004 |
Grinberg I, Rappe AM. Local structure and macroscopic properties in PbMg1/3Nb 2/3O3-PbTiO3 and PbZn1/3Nb 2/3O3-PbTiO3 solid solutions Physical Review B - Condensed Matter and Materials Physics. 70: 220101-1-220101-4. DOI: 10.1103/Physrevb.70.220101 |
0.557 |
|
| 2004 |
Juhas P, Grinberg I, Rappe AM, Dmowski W, Egami T, Daviest PK. Correlations between the structure and dielectric properties of Pb(Sc 2/3W1/3)O3-Pb(Ti/Zr)O3 relaxors Physical Review B - Condensed Matter and Materials Physics. 69: 214101-1-214101-13. DOI: 10.1103/Physrevb.69.214101 |
0.584 |
|
| 2004 |
Mason SE, Grinberg I, Rappe AM. First-principles extrapolation method for accurate CO adsorption energies on metal surfaces Physical Review B - Condensed Matter and Materials Physics. 69: 161401-1-161401-4. DOI: 10.1103/Physrevb.69.161401 |
0.685 |
|
| 2004 |
Grinberg I, Cooper VR, Rappe AM. Oxide chemistry and local structure of PbZrxTi 1-xO3 studied by density-functional theory supercell calculations Physical Review B - Condensed Matter and Materials Physics. 69: 144118-1-144118-17. DOI: 10.1103/Physrevb.69.144118 |
0.786 |
|
| 2004 |
Grinberg I, Rappe AM. Silver solid solution piezoelectrics Applied Physics Letters. 85: 1760-1762. DOI: 10.1063/1.1787946 |
0.565 |
|
| 2004 |
Walter EJ, Rappe AM. Coadsorption of methyl radicals and oxygen on Rh(1 1 1) Surface Science. 549: 265-272. DOI: 10.1016/J.Susc.2003.11.016 |
0.661 |
|
| 2004 |
Grinberg I, Cooper VR, Shin YH, Rappe AM, Baring TJ, Cable SB. Accelerated modeling and new ferroelectric materials for Naval SONAR Proceedings - Department of Defense High Performance Computing Modernization Program Users Group Conference, Ugc 2004. 27-33. |
0.644 |
|
| 2004 |
Cooper VR, Kolpak AM, Rappe AM. Oxide-supported metal thin film catalysts: The how and why? Acs National Meeting Book of Abstracts. 228: CATL-25. |
0.76 |
|
| 2003 |
Yourdshahyan Y, Grinberg I, Sai N, Cooper VR, Mason SE, Rappe AM, Kauffman RP. Relating fundamental chemistry and smart materials with DFT calculations Proceedings - 2003 User Group Conference. 20-35. DOI: 10.1109/DODUGC.2003.1253370 |
0.785 |
|
| 2003 |
Kauffman RP, Rappe AM. Vacancies below the (111) surface of Pd Physical Review B - Condensed Matter and Materials Physics. 67: 854031-854036. DOI: 10.1103/Physrevb.67.085403 |
0.333 |
|
| 2003 |
Yourdshahyan Y, Cooper VR, Kolpak AM, Rappe AM. Catalytic behavior at the nanoscale: CO adsorption on Al2O 3-supported Pt clusters Proceedings of Spie - the International Society For Optical Engineering. 5223: 223-231. |
0.757 |
|
| 2002 |
Grinberg I, Cooper VR, Rappe AM. Relationship between local structure and phase transitions of a disordered solid solution. Nature. 419: 909-11. PMID 12410319 DOI: 10.1038/Nature01115 |
0.785 |
|
| 2002 |
Grinberg I, Yourdshahyan Y, Rappe AM. CO on PT(111) puzzle: A possible solution Journal of Chemical Physics. 117: 2264-2270. DOI: 10.1063/1.1488596 |
0.561 |
|
| 2002 |
Yourdshahyan Y, Rappe AM. Structure and energetics of alkanethiol adsorption on the Au(111) surface Journal of Chemical Physics. 117: 825-833. DOI: 10.1063/1.1483072 |
0.316 |
|
| 2001 |
Grinberg I, Ramer NJ, Rappe AM. Quantitative criteria for transferable pseudopotentials in density functional theory Physical Review B - Condensed Matter and Materials Physics. 63: 2011021-2011024. DOI: 10.1103/Physrevb.63.201102 |
0.798 |
|
| 2001 |
Lewis SP, Rappe AM. Controlling adsorbate vibrational lifetimes using superlattices Physical Review B - Condensed Matter and Materials Physics. 63: 854021-854025. DOI: 10.1103/Physrevb.63.085402 |
0.581 |
|
| 2001 |
Yourdshahyan Y, Zhang HK, Rappe AM. n-alkyl thiol head-group interactions with the Au(111) surface Physical Review B - Condensed Matter and Materials Physics. 63: 814051-814054. DOI: 10.1103/Physrevb.63.081405 |
0.309 |
|
| 2001 |
Lin X, Ramer NJ, Rappe AM, Hass KC, Schneider WF, Trout BL. Effect of particle size on the adsorption of O and S atoms on Pt: A density-functional theory study Journal of Physical Chemistry B. 105: 7739-7747. DOI: 10.1021/Jp011133P |
0.771 |
|
| 2001 |
Walter EJ, Lewis SP, Rappe AM. First principles study of carbon monoxide adsorption on zirconia-supported copper Surface Science. 495: 44-50. DOI: 10.1016/S0039-6028(01)01498-4 |
0.742 |
|
| 2000 |
Ramer NJ, Rappe AM. Virtual-crystal approximation that works: Locating a compositional phase boundary in Pb(Zr1-xTix)O3 Physical Review B - Condensed Matter and Materials Physics. 62: R743-R746. DOI: 10.1103/Physrevb.62.R743 |
0.783 |
|
| 2000 |
Grinberg I, Ramer NJ, Rappe AM. Transferable relativistic Dirac-Slater pseudopotentials Physical Review B - Condensed Matter and Materials Physics. 62: 2311-2314. DOI: 10.1103/Physrevb.62.2311 |
0.78 |
|
| 2000 |
Walter EJ, Lewis SP, Rappe AM. Investigation of chemisorbed molecular states for oxygen on rhodium (111) Journal of Chemical Physics. 113: 4388-4391. DOI: 10.1063/1.1287714 |
0.751 |
|
| 2000 |
Ramer NJ, Rappe AM. Application of a new virtual crystal approach for the study of disordered perovskites Journal of Physics and Chemistry of Solids. 61: 315-320. DOI: 10.1016/S0022-3697(99)00300-5 |
0.769 |
|
| 1999 |
Ramer NJ, Rappe AM. Designed nonlocal pseudopotentials for enhanced transferability Physical Review B - Condensed Matter and Materials Physics. 59: 12471-12478. DOI: 10.1103/Physrevb.59.12471 |
0.741 |
|
| 1999 |
Lewis SP, Rappe AM. Structural and vibrational properties of carbon monoxide adlayers on the copper (001) surface Journal of Chemical Physics. 110: 4619-4633. DOI: 10.1063/1.478344 |
0.606 |
|
| 1999 |
Walter EJ, Rappe AM. Accurate and efficient determination of chemisorption energies using pseudopotentials Surface Science. 427: 11-14. DOI: 10.1016/S0039-6028(99)00225-3 |
0.681 |
|
| 1998 |
Walter EJ, Lewis SP, Rappe AM. Internally consistent predictions of surface structural relaxations Proceedings of Spie - the International Society For Optical Engineering. 3272: 196-200. DOI: 10.1117/12.307127 |
0.751 |
|
| 1998 |
Pykhtin MV, Lewis SP, Mele EJ, Rappe AM. Collective motion and structural order in adsorbate vibrational dynamics Physical Review Letters. 81: 5940-5943. DOI: 10.1103/Physrevlett.81.5940 |
0.683 |
|
| 1998 |
Lewis SP, Wei CY, Mele EJ, Rappe AM. Efficient scaling of calculations involving separable nonlocal potentials Physical Review B - Condensed Matter and Materials Physics. 58: 3482-3485. DOI: 10.1103/Physrevb.58.3482 |
0.671 |
|
| 1998 |
Wei CY, Lewis SP, Mele EJ, Rappe AM. Structure and vibrations of the vicinal copper (211) surface Physical Review B - Condensed Matter and Materials Physics. 57: 10062-10068. DOI: 10.1103/Physrevb.57.10062 |
0.694 |
|
| 1998 |
Ramer NJ, Mele EJ, Rappe AM. Theoretical examination of stress fields in Pb(Zr0.5Ti0.5)O3 Ferroelectrics. 206: 31-46. DOI: 10.1080/00150199808009147 |
0.755 |
|
| 1998 |
Lewis SP, Pykhtin MV, Mele EJ, Rappe AM. Continuum elastic theory of adsorbate vibrational relaxation Journal of Chemical Physics. 108: 1157-1161. DOI: 10.1063/1.475478 |
0.684 |
|
| 1997 |
Meade RD, Rappe AM, Brommer KD, Joannopoulos JD, Alherhand OL. Erratum: Accurate theoretical analysis of photonic band-gap materials [Phys. Rev. B 48, 8434 (1993)] Physical Review B. 55: 15942-15942. DOI: 10.1103/Physrevb.55.15942 |
0.455 |
|
| 1997 |
Wei C, Lewis SP, Mele EJ, Rappe AM. Reciprocity theorems and pseudoelectric fields for ab initio force calculations Physical Review B - Condensed Matter and Materials Physics. 55: 15356-15359. DOI: 10.1103/Physrevb.55.15356 |
0.668 |
|
| 1997 |
Králik B, Rappe AM, Louie SG. Variational Monte Carlo calculation of the spin gap in the v = 1 quantum Hall liquid Physical Review B - Condensed Matter and Materials Physics. 56: 4760-4771. |
0.355 |
|
| 1996 |
Lewis SP, Rappe AM. Substrate-Adsorbate Coupling in CO-Adsorbed Copper. Physical Review Letters. 77: 5241-5244. PMID 10062751 DOI: 10.1103/Physrevlett.77.5241 |
0.594 |
|
| 1995 |
Sasaki T, Rappe AM, Louie SG. Ab initio optimized pseudopotential calculations of magnetic systems. Physical Review. B, Condensed Matter. 52: 12760-12765. PMID 9980441 DOI: 10.1103/Physrevb.52.12760 |
0.423 |
|
| 1995 |
Králik B, Rappe AM, Louie SG. Theory of the spin-flip excitations in the nu =1 quantum Hall liquid. Physical Review. B, Condensed Matter. 52: 11626-11629. PMID 9980286 DOI: 10.1103/Physrevb.52.R11626 |
0.452 |
|
| 1993 |
Robertson WM, Arjavalingam G, Meade RD, Brommer KD, Rappe AM, Joannopoulos JD. Observation of surface photons on periodic dielectric arrays. Optics Letters. 18: 528-30. PMID 19802190 DOI: 10.1364/Ol.18.000528 |
0.463 |
|
| 1993 |
Meade RD, Rappe AM, Brommer KD, Joannopoulos JD, Alerhand OL. Accurate theoretical analysis of photonic band-gap materials. Physical Review. B, Condensed Matter. 48: 8434-8437. PMID 10007041 DOI: 10.1103/PhysRevB.48.8434 |
0.375 |
|
| 1993 |
Dal Pino A, Rappe AM, Joannopoulos JD. Ab initio investigation of carbon-related defects in silicon. Physical Review. B, Condensed Matter. 47: 12554-12557. PMID 10005448 DOI: 10.1103/Physrevb.47.12554 |
0.453 |
|
| 1993 |
Meade RD, Rappe AM, Brommer KD, Joannopoulos JD. Nature of the photonic band gap: some insights from a field analysis Journal of the Optical Society of America B-Optical Physics. 10: 328-332. DOI: 10.1364/Josab.10.000328 |
0.464 |
|
| 1993 |
Robertson WM, Arjavalingam G, Meade RD, Brommer KD, Rappe AM, Joannopoulos JD. Measurement of the photon dispersion relation in two-dimensional ordered dielectric arrays Journal of the Optical Society of America B-Optical Physics. 10: 322-327. DOI: 10.1364/Josab.10.000322 |
0.457 |
|
| 1992 |
Robertson WM, Arjavalingam G, Meade RD, Brommer KD, Rappe AM, Joannopoulos JD. Measurement of photonic band structure in a two-dimensional periodic dielectric array. Physical Review Letters. 68: 2023-2026. PMID 10045284 DOI: 10.1103/PhysRevLett.68.2023 |
0.352 |
|
| 1992 |
Needels M, Rappe AM, Bristowe PD, Joannopoulos JD. Ab initio study of a grain boundary in gold. Physical Review. B, Condensed Matter. 46: 9768-9771. PMID 10002790 DOI: 10.1103/Physrevb.46.9768 |
0.479 |
|
| 1992 |
Rappe AM, Dal Pino A, Needels M, Joannopoulos JD. Mixed-basis pseudopotential method applied to iterative diagonalization techniques. Physical Review. B, Condensed Matter. 46: 7353-7357. PMID 10002469 DOI: 10.1103/Physrevb.46.7353 |
0.396 |
|
| 1992 |
Meade RD, Brommer KD, Rappe AM, Joannopoulos JD. Existence of a photonic band gap in two dimensions Applied Physics Letters. 61: 495-497. DOI: 10.1063/1.107868 |
0.479 |
|
| 1992 |
Rappe AM, Joannopoulos JD, Bash PA. A test of the utility of plane-waves for the study of molecules from first principles Journal of the American Chemical Society. 114: 6466-6469. DOI: 10.1021/Ja00042A026 |
0.452 |
|
| 1992 |
Yablonovitch E, Gmitter TJ, Leung KM, Meade RD, Rappe AM, Brommer KD, Joannopoulos JD. 3-dimensional photonic band structure Optical and Quantum Electronics. 24: S273-S283. DOI: 10.1007/Bf00625828 |
0.45 |
|
| 1991 |
Yablonovitch E, Gmitter TJ, Meade RD, Rappe AM, Brommer KD, Joannopoulos JD. Donor and acceptor modes in photonic band structure. Physical Review Letters. 67: 3380-3383. PMID 10044719 DOI: 10.1103/Physrevlett.67.3380 |
0.452 |
|
| 1991 |
Rappe AM, Rabe KM, Kaxiras E, Joannopoulos JD. Erratum: Optimized pseudopotentials Physical Review. B, Condensed Matter. 44: 13175-13176. PMID 10021556 DOI: 10.1103/Physrevb.44.13175.3 |
0.638 |
|
| 1991 |
Meade RD, Brommer KD, Rappe AM, Joannopoulos JD. Photonic bound states in periodic dielectric materials. Physical Review. B, Condensed Matter. 44: 13772-13774. PMID 9999587 DOI: 10.1103/Physrevb.44.13772 |
0.459 |
|
| 1991 |
Meade RD, Brommer KD, Rappe AM, Joannopoulos JD. Electromagnetic Bloch waves at the surface of a photonic crystal. Physical Review. B, Condensed Matter. 44: 10961-10964. PMID 9999136 DOI: 10.1103/Physrevb.44.10961 |
0.438 |
|
| 1990 |
Rappe AM, Rabe KM, Kaxiras E, Joannopoulos JD. Optimized pseudopotentials. Physical Review. B, Condensed Matter. 41: 1227-1230. PMID 9993827 DOI: 10.1103/PhysRevB.41.1227 |
0.611 |
|
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