Jeffrey B. Neaton, Ph.D. - Publications

Affiliations: 
2000 Cornell University, Ithaca, NY, United States 

88 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

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
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