| Year |
Citation |
Score |
| 2021 |
Cochrane KA, Lee JH, Kastl C, Haber JB, Zhang T, Kozhakhmetov A, Robinson JA, Terrones M, Repp J, Neaton JB, Weber-Bargioni A, Schuler B. Spin-dependent vibronic response of a carbon radical ion in two-dimensional WS. Nature Communications. 12: 7287. PMID 34911952 DOI: 10.1038/s41467-021-27585-x |
0.517 |
|
| 2021 |
Aubrey ML, Saldivar Valdes A, Filip MR, Connor BA, Lindquist KP, Neaton JB, Karunadasa HI. Directed assembly of layered perovskite heterostructures as single crystals. Nature. 597: 355-359. PMID 34526708 DOI: 10.1038/s41586-021-03810-x |
0.741 |
|
| 2021 |
Filip MR, Haber JB, Neaton JB. Phonon Screening of Excitons in Semiconductors: Halide Perovskites and Beyond. Physical Review Letters. 127: 067401. PMID 34420331 DOI: 10.1103/PhysRevLett.127.067401 |
0.763 |
|
| 2021 |
Wing D, Ohad G, Haber JB, Filip MR, Gant SE, Neaton JB, Kronik L. Band gaps of crystalline solids from Wannier-localization-based optimal tuning of a screened range-separated hybrid functional. Proceedings of the National Academy of Sciences of the United States of America. 118. PMID 34417292 DOI: 10.1073/pnas.2104556118 |
0.762 |
|
| 2021 |
Lindquist KP, Boles MA, Mack SA, Neaton JB, Karunadasa HI. Gold-Cage Perovskites: A Three-Dimensional Au-X Framework Encasing Isolated MX Octahedra (M = In, Sb, Bi; X = Cl, Br, I). Journal of the American Chemical Society. PMID 33945275 DOI: 10.1021/jacs.1c01624 |
0.779 |
|
| 2021 |
Biega RI, Filip MR, Leppert L, Neaton JB. Chemically Localized Resonant Excitons in Silver-Pnictogen Halide Double Perovskites. The Journal of Physical Chemistry Letters. 2057-2063. PMID 33606534 DOI: 10.1021/acs.jpclett.0c03579 |
0.777 |
|
| 2020 |
Smidt TE, Mack SA, Reyes-Lillo SE, Jain A, Neaton JB. An automatically curated first-principles database of ferroelectrics. Scientific Data. 7: 72. PMID 32127531 DOI: 10.1038/S41597-020-0407-9 |
0.796 |
|
| 2020 |
Nair NL, Boulanger M, Laliberté F, Griffin S, Channa S, Legros A, Tabis W, Proust C, Neaton J, Taillefer L, Analytis JG. Signatures of possible surface states in TaAs Physical Review B. 102. DOI: 10.1103/Physrevb.102.075402 |
0.568 |
|
| 2020 |
Brown-Altvater F, Antonius G, Rangel T, Giantomassi M, Draxl C, Gonze X, Louie SG, Neaton JB. Band gap renormalization, carrier mobilities, and the electron-phonon self-energy in crystalline naphthalene Physical Review B. 101. DOI: 10.1103/Physrevb.101.165102 |
0.32 |
|
| 2020 |
Aghajanian M, Schuler B, Cochrane KA, Lee J, Kastl C, Neaton JB, Weber-Bargioni A, Mostofi AA, Lischner J. Resonant and bound states of charged defects in two-dimensional semiconductors Physical Review B. 101. DOI: 10.1103/Physrevb.101.081201 |
0.562 |
|
| 2020 |
Delor M, Slavney AH, Wolf NR, Filip MR, Neaton JB, Karunadasa HI, Ginsberg NS. Carrier Diffusion Lengths Exceeding 1 μm Despite Trap-Limited Transport in Halide Double Perovskites Acs Energy Letters. 5: 1337-1345. DOI: 10.1021/Acsenergylett.0C00414 |
0.706 |
|
| 2020 |
Acharya M, Mack S, Fernandez A, Kim J, Wang H, Eriguchi K, Meyers D, Gopalan V, Neaton J, Martin LW. Searching for New Ferroelectric Materials Using High-Throughput Databases: An Experimental Perspective on BiAlO3 and BiInO3 Chemistry of Materials. 32: 7274-7283. DOI: 10.1021/Acs.Chemmater.0C01770 |
0.77 |
|
| 2019 |
Lindquist KP, Mack SA, Slavney AH, Leppert L, Gold-Parker A, Stebbins JF, Salleo A, Toney MF, Neaton JB, Karunadasa HI. Tuning the bandgap of CsAgBiBr through dilute tin alloying. Chemical Science. 10: 10620-10628. PMID 32110348 DOI: 10.1039/C9Sc02581B |
0.787 |
|
| 2019 |
Jaffe A, Mack SA, Lin Y, Mao W, Neaton JB, Karunadasa H. High Compression-Induced Conductivity in a Layered Cu-Br Perovskite. Angewandte Chemie (International Ed. in English). PMID 31883194 DOI: 10.1002/Anie.201912575 |
0.777 |
|
| 2019 |
Schuler B, Lee JH, Kastl C, Cochrane KA, Chen CT, Refaely-Abramson S, Yuan S, van Veen E, Roldan R, Borys NJ, Koch RJ, Aloni S, Schwartzberg AM, Ogletree DF, Neaton JB, et al. How Substitutional Point Defects in Two-Dimensional WS2 Induce Charge Localization, Spin-Orbit Splitting, and Strain. Acs Nano. PMID 31393700 DOI: 10.1021/Acsnano.9B04611 |
0.579 |
|
| 2019 |
Barja S, Refaely-Abramson S, Schuler B, Qiu DY, Pulkin A, Wickenburg S, Ryu H, Ugeda MM, Kastl C, Chen C, Hwang C, Schwartzberg A, Aloni S, Mo SK, Frank Ogletree D, ... ... Neaton JB, et al. Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides. Nature Communications. 10: 3382. PMID 31358753 DOI: 10.1038/S41467-019-11342-2 |
0.339 |
|
| 2019 |
Liu ZF, da Jornada FH, Louie SG, Neaton JB. Accelerating GW-Based Energy Level Alignment Calculations for Molecule-Metal Interfaces Using a Substrate Screening Approach. Journal of Chemical Theory and Computation. PMID 31194538 DOI: 10.1021/Acs.Jctc.9B00326 |
0.305 |
|
| 2019 |
Mack SA, Griffin SM, Neaton JB. Emergence of topological electronic phases in elemental lithium under pressure. Proceedings of the National Academy of Sciences of the United States of America. PMID 31019081 DOI: 10.1073/Pnas.1821533116 |
0.799 |
|
| 2019 |
Weber SF, Griffin SM, Neaton JB. Topological semimetal features in the multiferroic hexagonal manganites Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.064206 |
0.592 |
|
| 2019 |
Latzke DW, Ojeda-Aristizabal C, Griffin SM, Denlinger JD, Neaton JB, Zettl A, Lanzara A. Observation of highly dispersive bands in pure thin film
C60 Physical Review B. 99. DOI: 10.1103/Physrevb.99.045425 |
0.602 |
|
| 2019 |
Refaely-Abramson S, Liu Z, Bruneval F, Neaton JB. First-Principles Approach to the Conductance of Covalently Bound Molecular Junctions The Journal of Physical Chemistry C. 123: 6379-6387. DOI: 10.1021/Acs.Jpcc.8B12124 |
0.303 |
|
| 2018 |
Manna AK, Refaely-Abramson S, Reilly AM, Tkatchenko A, Neaton JB, Kronik L. Quantitative prediction of optical absorption in molecular solids from an optimally-tuned screened range-separated hybrid functional. Journal of Chemical Theory and Computation. PMID 29727172 DOI: 10.1021/Acs.Jctc.7B01058 |
0.335 |
|
| 2018 |
Suram SK, Zhou L, Shinde A, Yan Q, Yu J, Umehara M, Stein HS, Neaton JB, Gregoire JM. Alkaline-stable nickel manganese oxides with ideal band gap for solar fuel photoanodes. Chemical Communications (Cambridge, England). PMID 29671420 DOI: 10.1039/C7Cc08002F |
0.718 |
|
| 2018 |
Hochberg Y, Kahn Y, Lisanti M, Zurek KM, Grushin AG, Ilan R, Griffin SM, Liu Z, Weber SF, Neaton JB. Detection of sub-MeV dark matter with three-dimensional Dirac materials Physical Review D. 97. DOI: 10.1103/Physrevd.97.015004 |
0.583 |
|
| 2018 |
Kealhofer R, Jang S, Griffin SM, John C, Benavides KA, Doyle S, Helm T, Moll PJW, Neaton JB, Chan JY, Denlinger JD, Analytis JG. Observation of a two-dimensional Fermi surface and Dirac dispersion in
YbMnSb2 Physical Review B. 97. DOI: 10.1103/Physrevb.97.045109 |
0.621 |
|
| 2018 |
Nair NL, Dumitrescu PT, Channa S, Griffin SM, Neaton JB, Potter AC, Analytis JG. Thermodynamic signature of Dirac electrons across a possible topological transition in
ZrTe5 Physical Review B. 97. DOI: 10.1103/Physrevb.97.041111 |
0.577 |
|
| 2017 |
Yan Q, Yu J, Suram SK, Zhou L, Shinde A, Newhouse PF, Chen W, Li G, Persson KA, Gregoire JM, Neaton JB. Solar fuels photoanode materials discovery by integrating high-throughput theory and experiment. Proceedings of the National Academy of Sciences of the United States of America. PMID 28265095 DOI: 10.1073/Pnas.1619940114 |
0.718 |
|
| 2017 |
Griffin SM, Neaton JB. Prediction of a new class of half-metallic ferromagnets from first principles Physical Review Materials. 1. DOI: 10.1103/Physrevmaterials.1.044401 |
0.615 |
|
| 2017 |
Weber SF, Chen R, Yan Q, Neaton JB. Prediction of TiRhAs as a Dirac nodal line semimetal via first-principles calculations Physical Review B. 96. DOI: 10.1103/Physrevb.96.235145 |
0.681 |
|
| 2017 |
Liu Z, Egger DA, Refaely-Abramson S, Kronik L, Neaton JB. Energy level alignment at molecule-metal interfaces from an optimally tuned range-separated hybrid functional The Journal of Chemical Physics. 146: 092326. DOI: 10.1063/1.4975321 |
0.359 |
|
| 2017 |
Shinde A, Suram SK, Yan Q, Zhou L, Singh AK, Yu J, Persson KA, Neaton JB, Gregoire JM. Discovery of Manganese-Based Solar Fuel Photoanodes via Integration of Electronic Structure Calculations, Pourbaix Stability Modeling, and High-Throughput Experiments Acs Energy Letters. 2: 2307-2312. DOI: 10.1021/Acsenergylett.7B00607 |
0.701 |
|
| 2016 |
Mann GW, Lee K, Cococcioni M, Smit B, Neaton JB. First-principles Hubbard U approach for small molecule binding in metal-organic frameworks. The Journal of Chemical Physics. 144: 174104. PMID 27155622 DOI: 10.1063/1.4947240 |
0.319 |
|
| 2016 |
Rangel T, Hamed SM, Bruneval F, Neaton JB. Evaluating the GW approximation with CCSD(T) for charged excitations across the oligoacenes. Journal of Chemical Theory and Computation. PMID 27123935 DOI: 10.1021/Acs.Jctc.6B00163 |
0.309 |
|
| 2016 |
Kronik L, Neaton JB. Excited-State Properties of Molecular Solids from First Principles. Annual Review of Physical Chemistry. PMID 27090844 DOI: 10.1146/Annurev-Physchem-040214-121351 |
0.328 |
|
| 2016 |
Zhou L, Yan Q, Yu J, Jones RJ, Becerra-Stasiewicz N, Suram SK, Shinde A, Guevarra D, Neaton JB, Persson KA, Gregoire JM. Stability and self-passivation of copper vanadate photoanodes under chemical, electrochemical, and photoelectrochemical operation. Physical Chemistry Chemical Physics : Pccp. PMID 26997488 DOI: 10.1039/C6Cp00473C |
0.67 |
|
| 2016 |
Brown-Altvater F, Rangel T, Neaton JB. Ab initio phonon dispersion in crystalline naphthalene using van der Waals density functionals Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.195206 |
0.316 |
|
| 2016 |
Li G, Rangel T, Liu ZF, Cooper VR, Neaton JB. Energy level alignment of self-assembled linear chains of benzenediamine on Au(111) from first principles Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.125429 |
0.327 |
|
| 2016 |
Rangel T, Berland K, Sharifzadeh S, Brown-Altvater F, Lee K, Hyldgaard P, Kronik L, Neaton JB. Structural and excited-state properties of oligoacene crystals from first principles Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.115206 |
0.316 |
|
| 2016 |
Ma J, Liu Z, Neaton JB, Wang L. The energy level alignment at metal–molecule interfaces using Wannier–Koopmans method Applied Physics Letters. 108: 262104. DOI: 10.1063/1.4955128 |
0.314 |
|
| 2016 |
Shinde A, Li G, Zhou L, Guevarra D, Suram SK, Toma FM, Yan Q, Haber JA, Neaton JB, Gregoire JM. The role of the CeO2/BiVO4 interface in optimized Fe–Ce oxide coatings for solar fuels photoanodes Journal of Materials Chemistry A. 4: 14356-14363. DOI: 10.1039/C6Ta04746G |
0.617 |
|
| 2016 |
Barja S, Wickenburg S, Liu ZF, Zhang Y, Ryu H, Ugeda MM, Hussain Z, Shen ZX, Mo SK, Wong E, Salmeron MB, Wang F, Crommie MF, Ogletree DF, Neaton JB, et al. Charge density wave order in 1D mirror twin boundaries of single-layer MoSe2 Nature Physics. DOI: 10.1038/Nphys3730 |
0.326 |
|
| 2015 |
van Setten MJ, Caruso F, Sharifzadeh S, Ren X, Scheffler M, Liu F, Lischner J, Lin L, Deslippe JR, Louie SG, Yang C, Weigend F, Neaton JB, Evers F, Rinke P. GW100: Benchmarking G0W0 for Molecular Systems. Journal of Chemical Theory and Computation. 11: 5665-5687. PMID 26642984 DOI: 10.1021/Acs.Jctc.5B00453 |
0.48 |
|
| 2015 |
Witte J, Goldey M, Neaton JB, Head-Gordon M. Beyond Energies: Geometries of Nonbonded Molecular Complexes as Metrics for Assessing Electronic Structure Approaches. Journal of Chemical Theory and Computation. 11: 1481-92. PMID 26574359 DOI: 10.1021/Ct501050S |
0.305 |
|
| 2015 |
Bruneval F, Hamed SM, Neaton JB. A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules. The Journal of Chemical Physics. 142: 244101. PMID 26133404 DOI: 10.1063/1.4922489 |
0.341 |
|
| 2015 |
Bernardi M, Mustafa J, Neaton JB, Louie SG. Theory and computation of hot carriers generated by surface plasmon polaritons in noble metals. Nature Communications. 6: 7044. PMID 26033445 DOI: 10.1038/Ncomms8044 |
0.309 |
|
| 2015 |
Egger DA, Liu ZF, Neaton JB, Kronik L. Reliable energy level alignment at physisorbed molecule-metal interfaces from density functional theory. Nano Letters. 15: 2448-55. PMID 25741626 DOI: 10.1021/Nl504863R |
0.354 |
|
| 2015 |
Yu J, Yan Q, Chen W, Jain A, Neaton JB, Persson KA. First-principles study of electronic structure and photocatalytic properties of MnNiO3 as an alkaline oxygen-evolution photocatalyst. Chemical Communications (Cambridge, England). 51: 2867-70. PMID 25582626 DOI: 10.1039/C4Cc08111K |
0.724 |
|
| 2015 |
Refaely-Abramson S, Jain M, Sharifzadeh S, Neaton JB, Kronik L. Solid-state optical absorption from optimally tuned time-dependent range-separated hybrid density functional theory Physical Review B - Condensed Matter and Materials Physics. 92. DOI: 10.1103/Physrevb.92.081204 |
0.332 |
|
| 2015 |
Zhou L, Yan Q, Shinde A, Guevarra D, Newhouse PF, Becerra-Stasiewicz N, Chatman SM, Haber JA, Neaton JB, Gregoire JM. High Throughput Discovery of Solar Fuels Photoanodes in the CuO-V2O5 System Advanced Energy Materials. 5. DOI: 10.1002/Aenm.201500968 |
0.676 |
|
| 2015 |
Yan Q, Li G, Newhouse PF, Yu J, Persson KA, Gregoire JM, Neaton JB. Mn2V2O7: An earth abundant light absorber for solar water splitting Advanced Energy Materials. 5. DOI: 10.1002/Aenm.201401840 |
0.684 |
|
| 2015 |
Sharifzadeh S, Wong CY, Wu H, Cotts BL, Kronik L, Ginsberg NS, Neaton JB. Relating the Physical Structure and Optoelectronic Function of Crystalline TIPS-Pentacene Advanced Functional Materials. 25: 2038-2046. DOI: 10.1002/Adfm.201403005 |
0.32 |
|
| 2014 |
Tamblyn I, Refaely-Abramson S, Neaton JB, Kronik L. Simultaneous Determination of Structures, Vibrations, and Frontier Orbital Energies from a Self-Consistent Range-Separated Hybrid Functional. The Journal of Physical Chemistry Letters. 5: 2734-41. PMID 26277972 DOI: 10.1021/Jz5010939 |
0.712 |
|
| 2014 |
Rivest JB, Li G, Sharp ID, Neaton JB, Milliron DJ. Phosphonic Acid Adsorbates Tune the Surface Potential of TiO2 in Gas and Liquid Environments. The Journal of Physical Chemistry Letters. 5: 2450-4. PMID 26277814 DOI: 10.1021/Jz501050F |
0.3 |
|
| 2014 |
Liu ZF, Neaton JB. Communication: energy-dependent resonance broadening in symmetric and asymmetric molecular junctions from an ab initio non-equilibrium Green's function approach. The Journal of Chemical Physics. 141: 131104. PMID 25296777 DOI: 10.1063/1.4897448 |
0.313 |
|
| 2014 |
Liu K, Yan Q, Chen M, Fan W, Sun Y, Suh J, Fu D, Lee S, Zhou J, Tongay S, Ji J, Neaton JB, Wu J. Elastic properties of chemical-vapor-deposited monolayer MoS2, WS2, and their bilayer heterostructures. Nano Letters. 14: 5097-103. PMID 25120033 DOI: 10.1021/Nl501793A |
0.641 |
|
| 2014 |
Liu ZF, Wei S, Yoon H, Adak O, Ponce I, Jiang Y, Jang WD, Campos LM, Venkataraman L, Neaton JB. Control of single-molecule junction conductance of porphyrins via a transition-metal center. Nano Letters. 14: 5365-70. PMID 25111197 DOI: 10.1021/Nl5025062 |
0.338 |
|
| 2014 |
Egger DA, Weissman S, Refaely-Abramson S, Sharifzadeh S, Dauth M, Baer R, Kümmel S, Neaton JB, Zojer E, Kronik L. Outer-valence Electron Spectra of Prototypical Aromatic Heterocycles from an Optimally Tuned Range-Separated Hybrid Functional. Journal of Chemical Theory and Computation. 10: 1934-1952. PMID 24839410 DOI: 10.1021/Ct400956H |
0.346 |
|
| 2013 |
Yu M, Doak P, Tamblyn I, Neaton JB. Theory of Covalent Adsorbate Frontier Orbital Energies on Functionalized Light-Absorbing Semiconductor Surfaces. The Journal of Physical Chemistry Letters. 4: 1701-6. PMID 26282981 DOI: 10.1021/Jz400601T |
0.735 |
|
| 2013 |
Haxton TK, Zhou H, Tamblyn I, Eom D, Hu Z, Neaton JB, Heinz TF, Whitelam S. Competing thermodynamic and dynamic factors select molecular assemblies on a gold surface. Physical Review Letters. 111: 265701. PMID 24483804 DOI: 10.1103/Physrevlett.111.265701 |
0.686 |
|
| 2013 |
Sharifzadeh S, Darancet P, Kronik L, Neaton JB. Low-energy charge-transfer excitons in organic solids from first-principles: The case of pentacene Journal of Physical Chemistry Letters. 4: 2197-2201. DOI: 10.1021/Jz401069F |
0.319 |
|
| 2012 |
Refaely-Abramson S, Sharifzadeh S, Govind N, Autschbach J, Neaton JB, Baer R, Kronik L. Quasiparticle spectra from a nonempirical optimally tuned range-separated hybrid density functional. Physical Review Letters. 109: 226405. PMID 23368141 DOI: 10.1103/Physrevlett.109.226405 |
0.331 |
|
| 2012 |
Darancet P, Widawsky JR, Choi HJ, Venkataraman L, Neaton JB. Quantitative current-voltage characteristics in molecular junctions from first principles. Nano Letters. 12: 6250-4. PMID 23167709 DOI: 10.1021/Nl3033137 |
0.316 |
|
| 2012 |
Yang S, Prendergast D, Neaton JB. Tuning semiconductor band edge energies for solar photocatalysis via surface ligand passivation. Nano Letters. 12: 383-8. PMID 22192078 DOI: 10.1021/Nl203669K |
0.3 |
|
| 2012 |
Sharifzadeh S, Tamblyn I, Doak P, Darancet PT, Neaton JB. Quantitative molecular orbital energies within a G0W0 approximation The European Physical Journal B. 85. DOI: 10.1140/Epjb/E2012-30206-0 |
0.728 |
|
| 2012 |
Sharifzadeh S, Biller A, Kronik L, Neaton JB. Quasiparticle and optical spectroscopy of the organic semiconductors pentacene and PTCDA from first principles Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.125307 |
0.328 |
|
| 2012 |
Li G, Tamblyn I, Cooper VR, Gao HJ, Neaton JB. Molecular adsorption on metal surfaces with van der Waals density functionals Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.121409 |
0.705 |
|
| 2011 |
Biller A, Tamblyn I, Neaton JB, Kronik L. Electronic level alignment at a metal-molecule interface from a short-range hybrid functional. The Journal of Chemical Physics. 135: 164706. PMID 22047262 DOI: 10.1063/1.3655357 |
0.732 |
|
| 2011 |
Quek SY, Choi HJ, Louie SG, Neaton JB. Thermopower of amine-gold-linked aromatic molecular junctions from first principles. Acs Nano. 5: 551-7. PMID 21171633 DOI: 10.1021/Nn102604G |
0.322 |
|
| 2011 |
Tamblyn I, Darancet P, Quek SY, Bonev SA, Neaton JB. Electronic energy level alignment at metal-molecule interfaces with a GW approach Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.201402 |
0.813 |
|
| 2011 |
Adelstein N, Mun BS, Ray HL, Ross PN, Neaton JB, De Jonghe LC. Structure and electronic properties of cerium orthophosphate: Theory and experiment Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.205104 |
0.314 |
|
| 2011 |
Isaacs EB, Sharifzadeh S, Ma B, Neaton JB. Relating trends in first-principles electronic structure and open-circuit voltage in organic photovoltaics Journal of Physical Chemistry Letters. 2: 2531-2537. DOI: 10.1021/Jz201148K |
0.34 |
|
| 2010 |
Dell'Angela M, Kladnik G, Cossaro A, Verdini A, Kamenetska M, Tamblyn I, Quek SY, Neaton JB, Cvetko D, Morgante A, Venkataraman L. Relating energy level alignment and amine-linked single molecule junction conductance. Nano Letters. 10: 2470-4. PMID 20578690 DOI: 10.1021/Nl100817H |
0.701 |
|
| 2008 |
Sau JD, Neaton JB, Choi HJ, Louie SG, Cohen ML. Electronic energy levels of weakly coupled nanostructures: C60-metal interfaces. Physical Review Letters. 101: 026804. PMID 18764213 DOI: 10.1103/Physrevlett.101.026804 |
0.317 |
|
| 2006 |
Neaton JB, Hybertsen MS, Louie SG. Renormalization of molecular electronic levels at metal-molecule interfaces. Physical Review Letters. 97: 216405. PMID 17155759 DOI: 10.1103/Physrevlett.97.216405 |
0.324 |
|
| 2006 |
Neaton JB, Hybertsen MS, Louie SG. Renormalization of molecular electronic levels at metal-molecule interfaces Physical Review Letters. 97. DOI: 10.1103/PhysRevLett.97.216405 |
0.322 |
|
| 2006 |
Quek SY, Neaton JB, Hybertsen MS, Kaxiras E, Louie SG. First-principles studies of the electronic structure of cyclopentene on Si(001): Density functional theory and GW calculations Physica Status Solidi (B) Basic Research. 243: 2048-2053. DOI: 10.1002/Pssb.200666819 |
0.315 |
|
| 2005 |
Neaton JB, Ederer C, Waghmare UV, Spaldin NA, Rabe KM. First-principles study of spontaneous polarization in multiferroic BiFeO 3 Physical Review B - Condensed Matter and Materials Physics. 71. DOI: 10.1103/Physrevb.71.014113 |
0.598 |
|
| 2003 |
Wang J, Neaton JB, Zheng H, Nagarajan V, Ogale SB, Liu B, Viehland D, Vaithyanathan V, Schlom DG, Waghmare UV, Spaldin NA, Rabe KM, Wuttig M, Ramesh R. Epitaxial BiFeO3 multiferroic thin film heterostructures. Science (New York, N.Y.). 299: 1719-22. PMID 12637741 DOI: 10.1126/Science.1080615 |
0.492 |
|
| 2003 |
Nagao K, Neaton JB, Ashcroft NW. First-principles study of adhesion at Cu/SiO2 interfaces Physical Review B - Condensed Matter and Materials Physics. 68: 1254031-1254038. DOI: 10.1103/Physrevb.68.125403 |
0.49 |
|
| 2003 |
Bergara A, Neaton JB, Ashcroft NW. Ferromagnetic instabilities in atomically thin lithium and sodium wires International Journal of Quantum Chemistry. 91: 239-244. DOI: 10.1002/Qua.10414 |
0.535 |
|
| 2002 |
Neaton JB, Ashcroft NW. Low-energy linear structures in dense oxygen: implications for the epsilon phase. Physical Review Letters. 88: 205503. PMID 12005576 DOI: 10.1103/Physrevlett.88.205503 |
0.538 |
|
| 2002 |
He L, Neaton JB, Cohen MH, Vanderbilt D, Homes CC. First-principles study of the structure and lattice dielectric response of CaCu3Ti4O12 Physical Review B - Condensed Matter and Materials Physics. 65: 2141121-21411211. DOI: 10.1103/Physrevb.65.214112 |
0.324 |
|
| 2002 |
He L, Neaton JB, Cohen MH, Vanderbilt D. First-principles study of the structure and lattice dielectric response of CaCu3Ti4O12 Physical Review B - Condensed Matter and Materials Physics. 65: 2141121-21411211. |
0.324 |
|
| 2002 |
Neaton JB, Ashcroft NW. Low-energy linear structures in dense oxygen: Implications for the ε phase Physical Review Letters. 88: 2055031-2055034. |
0.512 |
|
| 2001 |
Neaton JB, Ashcroft NW. On the constitution of sodium at higher densities. Physical Review Letters. 86: 2830-3. PMID 11290050 DOI: 10.1103/Physrevlett.86.2830 |
0.554 |
|
| 2000 |
Neaton JB, Muller DA, Ashcroft NW. Electronic properties of the Si/SiO2 interface from first principles Physical Review Letters. 85: 1298-301. PMID 10991536 DOI: 10.1103/Physrevlett.85.1298 |
0.557 |
|
| 2000 |
Bergara A, Neaton JB, Ashcroft NW. Pairing, π-bonding, and the role of nonlocality in a dense lithium monolayer Physical Review B - Condensed Matter and Materials Physics. 62: 8494-8499. DOI: 10.1103/Physrevb.62.8494 |
0.543 |
|
| 1999 |
Neaton JB, Ashcroft NW. Pairing in dense lithium Nature. 400: 141-144. DOI: 10.1038/22067 |
0.53 |
|
| Show low-probability matches. |