| Year |
Citation |
Score |
| 2020 |
Brunin G, Miranda HPC, Giantomassi M, Royo M, Stengel M, Verstraete MJ, Gonze X, Rignanese GM, Hautier G. Electron-Phonon beyond Fröhlich: Dynamical Quadrupoles in Polar and Covalent Solids. Physical Review Letters. 125: 136601. PMID 33034486 DOI: 10.1103/PhysRevLett.125.136601 |
0.581 |
|
| 2020 |
Waroquiers D, George J, Horton M, Schenk S, Persson KA, Rignanese GM, Gonze X, Hautier G. ChemEnv: a fast and robust coordination environment identification tool. Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials. 76: 683-695. PMID 32831287 DOI: 10.1107/S2052520620007994 |
0.574 |
|
| 2020 |
Kumar V, Di Stefano D, Rignanese GM, Gonze X. Li diffusion in Si and LiSi: Nuclear quantum effects and anharmonicity. The Journal of Chemical Physics. 152: 244101. PMID 32610994 DOI: 10.1063/5.0007648 |
0.601 |
|
| 2020 |
Romero AH, Allan DC, Amadon B, Antonius G, Applencourt T, Baguet L, Bieder J, Bottin F, Bouchet J, Bousquet E, Bruneval F, Brunin G, Caliste D, Côté M, Denier J, ... ... Gonze X, et al. ABINIT: Overview and focus on selected capabilities. The Journal of Chemical Physics. 152: 124102. PMID 32241118 DOI: 10.1063/1.5144261 |
0.814 |
|
| 2020 |
Brunin G, Miranda HPC, Giantomassi M, Royo M, Stengel M, Verstraete MJ, Gonze X, Rignanese G, Hautier G. Phonon-limited electron mobility in Si, GaAs, and GaP with exact treatment of dynamical quadrupoles Physical Review B. 102. DOI: 10.1103/PhysRevB.102.094308 |
0.565 |
|
| 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 |
0.438 |
|
| 2020 |
Jia Y, Miglio A, Poncé S, Mikami M, Gonze X. Erratum: First-principles study of the luminescence of
Eu2+
-doped phosphors [Phys. Rev. B
96
, 125132 (2017)] Physical Review B. 101. DOI: 10.1103/Physrevb.101.089902 |
0.671 |
|
| 2020 |
Jia Y, Poncé S, Miglio A, Mikami M, Gonze X. Design rule for the emission linewidth of Eu2+-activated phosphors Journal of Luminescence. 224: 117258. DOI: 10.1016/J.Jlumin.2020.117258 |
0.32 |
|
| 2020 |
Gonze X, Amadon B, Antonius G, Arnardi F, Baguet L, Beuken J, Bieder J, Bottin F, Bouchet J, Bousquet E, Brouwer N, Bruneval F, Brunin G, Cavignac T, Charraud J, et al. The Abinitproject: Impact, environment and recent developments Computer Physics Communications. 248: 107042. DOI: 10.1016/J.Cpc.2019.107042 |
0.679 |
|
| 2019 |
Lee C, Gonze X. Lattice dynamics and dielectric properties of SiO2 stishovite. Physical Review Letters. 72: 1686-1689. PMID 10055675 DOI: 10.1103/Physrevlett.72.1686 |
0.438 |
|
| 2019 |
Lee C, Gonze X. Dielectric constants and Born effective charges of TiO2 rutile. Physical Review. B, Condensed Matter. 49: 14730-14731. PMID 10010564 DOI: 10.1103/Physrevb.49.14730 |
0.359 |
|
| 2019 |
Lee C, Gonze X. Ab initio calculation of the thermodynamic properties and atomic temperature factors of SiO2 alpha -quartz and stishovite. Physical Review. B, Condensed Matter. 51: 8610-8613. PMID 9977479 DOI: 10.1103/Physrevb.51.8610 |
0.312 |
|
| 2019 |
Lee C, Ghosez P, Gonze X. Lattice dynamics and dielectric properties of incipient ferroelectric TiO2 rutile. Physical Review. B, Condensed Matter. 50: 13379-13387. PMID 9975530 DOI: 10.1103/Physrevb.50.13379 |
0.4 |
|
| 2019 |
Pike NA, Dewandre A, Van Troeye B, Gonze X, Verstraete MJ. Vibrational and dielectric properties of monolayer transition metal dichalcogenides Physical Review Materials. 3. DOI: 10.1103/Physrevmaterials.3.074009 |
0.338 |
|
| 2019 |
Jia Y, Poncé S, Miglio A, Mikami M, Gonze X. Beyond the one-dimensional configuration coordinate model of photoluminescence Physical Review B. 100. DOI: 10.1103/Physrevb.100.155109 |
0.649 |
|
| 2018 |
Wuttig M, Deringer VL, Gonze X, Bichara C, Raty JY. Incipient Metals: Functional Materials with a Unique Bonding Mechanism. Advanced Materials (Deerfield Beach, Fla.). 30: e1803777. PMID 30318844 DOI: 10.1002/Adma.201803777 |
0.311 |
|
| 2018 |
Petretto G, Dwaraknath S, P C Miranda H, Winston D, Giantomassi M, van Setten MJ, Gonze X, Persson KA, Hautier G, Rignanese GM. High-throughput density-functional perturbation theory phonons for inorganic materials. Scientific Data. 5: 180065. PMID 29714723 DOI: 10.1038/Sdata.2018.65 |
0.81 |
|
| 2018 |
Gonze X, Zhou JS, Reining L. Variations on the “exact factorization” theme The European Physical Journal B. 91. DOI: 10.1140/Epjb/E2018-90278-2 |
0.357 |
|
| 2018 |
Jia Y, Miglio A, Mikami M, Gonze X. Ab initio
study of luminescence in Ce-doped
Lu2SiO5
: The role of oxygen vacancies on emission color and thermal quenching behavior Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.125202 |
0.409 |
|
| 2018 |
Lherbier A, Vander Marcken G, Van Troeye B, Botello-Méndez AR, Adjizian J, Hautier G, Gonze X, Rignanese G, Charlier J. Lithiation properties of
sp2
carbon allotropes Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.085408 |
0.537 |
|
| 2018 |
Van Troeye B, Lherbier A, Charlier J, Gonze X. Large phosphorene in-plane contraction induced by interlayer interactions in graphene-phosphorene heterostructures Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.074001 |
0.365 |
|
| 2018 |
Pike NA, Dewandre A, Van Troeye B, Gonze X, Verstraete MJ. Vibrational and dielectric properties of the bulk transition metal dichalcogenides Physical Review Materials. 2. DOI: 10.1103/Physrevmaterials.2.063608 |
0.433 |
|
| 2018 |
Nery JP, Allen PB, Antonius G, Reining L, Miglio A, Gonze X. Quasiparticles and phonon satellites in spectral functions of semiconductors and insulators: Cumulants applied to the full first-principles theory and the Fröhlich polaron Physical Review B. 97. DOI: 10.1103/Physrevb.97.115145 |
0.433 |
|
| 2018 |
van Setten M, Giantomassi M, Bousquet E, Verstraete M, Hamann D, Gonze X, Rignanese G. The PseudoDojo: Training and grading a 85 element optimized norm-conserving pseudopotential table Computer Physics Communications. 226: 39-54. DOI: 10.1016/J.Cpc.2018.01.012 |
0.625 |
|
| 2018 |
Petretto G, Gonze X, Hautier G, Rignanese G. Convergence and pitfalls of density functional perturbation theory phonons calculations from a high-throughput perspective Computational Materials Science. 144: 331-337. DOI: 10.1016/J.Commatsci.2017.12.040 |
0.676 |
|
| 2017 |
Gillet Y, Kontur S, Giantomassi M, Draxl C, Gonze X. Ab Initio Approach to Second-order Resonant Raman Scattering Including Exciton-Phonon Interaction. Scientific Reports. 7: 7344. PMID 28779127 DOI: 10.1038/S41598-017-07682-Y |
0.38 |
|
| 2017 |
van Setten MJ, Giantomassi M, Gonze X, Rignanese G, Hautier G. Automation methodologies and large-scale validation for
GW
: Towards high-throughput
GW
calculations Physical Review B. 96. DOI: 10.1103/Physrevb.96.155207 |
0.669 |
|
| 2017 |
Jia Y, Miglio A, Poncé S, Mikami M, Gonze X. First-principles study of the luminescence of
Eu2+
-doped phosphors Physical Review B. 96. DOI: 10.1103/Physrevb.96.125132 |
0.714 |
|
| 2017 |
Pike NA, Van Troeye B, Dewandre A, Petretto G, Gonze X, Rignanese G, Verstraete MJ. Origin of the counterintuitive dynamic charge in the transition metal dichalcogenides Physical Review B. 95. DOI: 10.1103/Physrevb.95.201106 |
0.6 |
|
| 2017 |
Poncé S, Antonius G, Gillet Y, Boulanger P, Laflamme Janssen J, Marini A, Côté M, Gonze X. Erratum: Temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation [Phys. Rev. B
90
, 214304 (2014)] Physical Review B. 95. DOI: 10.1103/Physrevb.95.059903 |
0.687 |
|
| 2017 |
Van Troeye B, van Setten MJ, Giantomassi M, Torrent M, Rignanese G, Gonze X. First-principles study of paraelectric and ferroelectricCsH2PO4including dispersion forces: Stability and related vibrational, dielectric, and elastic properties Physical Review B. 95. DOI: 10.1103/Physrevb.95.024112 |
0.656 |
|
| 2017 |
Poncé S, Gillet Y, Laflamme Janssen J, Marini A, Verstraete M, Gonze X. Erratum: “Temperature dependence of the electronic structure of semiconductors and insulators” [J. Chem. Phys. 143, 102813 (2015)] The Journal of Chemical Physics. 146: 099901. DOI: 10.1063/1.4977571 |
0.702 |
|
| 2017 |
Waroquiers D, Gonze X, Rignanese G, Welker-Nieuwoudt C, Rosowski F, Göbel M, Schenk S, Degelmann P, André R, Glaum R, Hautier G. Statistical Analysis of Coordination Environments in Oxides Chemistry of Materials. 29: 8346-8360. DOI: 10.1021/Acs.Chemmater.7B02766 |
0.587 |
|
| 2017 |
Jia Y, Poncé S, Miglio A, Mikami M, Gonze X. Assessment of First-Principles and Semiempirical Methodologies for Absorption and Emission Energies of Ce3+
-Doped Luminescent Materials Advanced Optical Materials. 5: 1600997. DOI: 10.1002/Adom.201600997 |
0.725 |
|
| 2016 |
Meng Y, Liu XW, Huo CF, Guo WP, Cao DB, Peng Q, Dearden A, Gonze X, Yang Y, Wang J, Jiao H, Li Y, Wen XD. When Density Functional Approximations Meet Iron Oxides. Journal of Chemical Theory and Computation. PMID 27532639 DOI: 10.1021/Acs.Jctc.6B00640 |
0.322 |
|
| 2016 |
Lejaeghere K, Bihlmayer G, Björkman T, Blaha P, Blügel S, Blum V, Caliste D, Castelli IE, Clark SJ, Dal Corso A, de Gironcoli S, Deutsch T, Dewhurst JK, Di Marco I, Draxl C, ... ... Gonze X, et al. Reproducibility in density functional theory calculations of solids. Science (New York, N.Y.). 351: aad3000. PMID 27013736 DOI: 10.1126/Science.Aad3000 |
0.788 |
|
| 2016 |
Del Corro E, Botello Mendez AR, Gillet Y, Elías AL, Terrones H, Feng S, Fantini C, Rhodes D, Pradhan NR, Balicas L, Gonze X, Charlier JC, Terrones M, Pimenta MA. Atypical exciton-phonon interactions in WS2 and WSe2 monolayers revealed by resonance Raman spectroscopy. Nano Letters. PMID 26998817 DOI: 10.1021/Acs.Nanolett.5B05096 |
0.365 |
|
| 2016 |
Ramkumar SP, Gillet Y, Miglio A, van Setten MJ, Gonze X, Rignanese G. First-principles investigation of the structural, dynamical, and dielectric properties of kesterite, stannite, and PMCA phases of
Cu2ZnSnS4 Physical Review B. 94. DOI: 10.1103/Physrevb.94.224302 |
0.644 |
|
| 2016 |
Laflamme Janssen J, Gillet Y, Poncé S, Martin A, Torrent M, Gonze X. Precise effective masses from density functional perturbation theory Physical Review B. 93. DOI: 10.1103/Physrevb.93.205147 |
0.74 |
|
| 2016 |
Jia Y, Miglio A, Poncé S, Gonze X, Mikami M. First-principles study of Ce3+-doped lanthanum silicate nitride phosphors: Neutral excitation, Stokes shift, and luminescent center identification Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.155111 |
0.726 |
|
| 2016 |
Van Troeye B, Torrent M, Gonze X. Interatomic force constants including the DFT-D dispersion contribution Physical Review B. 93. DOI: 10.1103/Physrevb.93.144304 |
0.432 |
|
| 2016 |
Weber MC, Guennou M, Toulouse C, Cazayous M, Gillet Y, Gonze X, Kreisel J. Temperature evolution of the band gap in BiFeO3 traced by resonant Raman scattering Physical Review B - Condensed Matter and Materials Physics. 93. DOI: 10.1103/Physrevb.93.125204 |
0.393 |
|
| 2016 |
Poncé S, Jia Y, Giantomassi M, Mikami M, Gonze X. Understanding Thermal Quenching of Photoluminescence in Oxynitride Phosphors from First Principles The Journal of Physical Chemistry C. 120: 4040-4047. DOI: 10.1021/Acs.Jpcc.5B12361 |
0.706 |
|
| 2016 |
Bhatia A, Hautier G, Nilgianskul T, Miglio A, Sun J, Kim HJ, Kim KH, Chen S, Rignanese GM, Gonze X, Suntivich J. High-Mobility Bismuth-based Transparent p-Type Oxide from High-Throughput Material Screening Chemistry of Materials. 28: 30-34. DOI: 10.1021/Acs.Chemmater.5B03794 |
0.63 |
|
| 2016 |
Gonze X, Jollet F, Abreu Araujo F, Adams D, Amadon B, Applencourt T, Audouze C, Beuken JM, Bieder J, Bokhanchuk A, Bousquet E, Bruneval F, Caliste D, Côté M, Dahm F, et al. Recent developments in the ABINIT software package Computer Physics Communications. DOI: 10.1016/J.Cpc.2016.04.003 |
0.794 |
|
| 2016 |
Gillet Y, Giantomassi M, Gonze X. Efficient on-the-fly interpolation technique for Bethe–Salpeter calculations of optical spectra Computer Physics Communications. 203: 83-93. DOI: 10.1016/J.Cpc.2016.02.008 |
0.36 |
|
| 2015 |
Poncé S, Gillet Y, Laflamme Janssen J, Marini A, Verstraete M, Gonze X. Temperature dependence of the electronic structure of semiconductors and insulators. The Journal of Chemical Physics. 143: 102813. PMID 26374006 DOI: 10.1063/1.4927081 |
0.745 |
|
| 2015 |
Antonius G, Poncé S, Lantagne-Hurtubise E, Auclair G, Gonze X, Côté M. Dynamical and anharmonic effects on the electron-phonon coupling and the zero-point renormalization of the electronic structure Physical Review B. 92. DOI: 10.1103/Physrevb.92.085137 |
0.749 |
|
| 2015 |
Marini A, Poncé S, Gonze X. Many-body perturbation theory approach to the electron-phonon interaction with density-functional theory as a starting point Physical Review B. 91. DOI: 10.1103/Physrevb.91.224310 |
0.734 |
|
| 2014 |
Antonius G, Poncé S, Boulanger P, Côté M, Gonze X. Many-body effects on the zero-point renormalization of the band structure Physical Review Letters. 112. DOI: 10.1103/Physrevlett.112.215501 |
0.755 |
|
| 2014 |
Poncé S, Antonius G, Gillet Y, Boulanger P, Laflamme Janssen J, Marini A, Côté M, Gonze X. Temperature dependence of electronic eigenenergies in the adiabatic harmonic approximation Physical Review B. 90. DOI: 10.1103/Physrevb.90.214304 |
0.74 |
|
| 2014 |
Bruneval F, Crocombette J, Gonze X, Dorado B, Torrent M, Jollet F. Consistent treatment of charged systems within periodic boundary conditions: The projector augmented-wave and pseudopotential methods revisited Physical Review B. 89. DOI: 10.1103/Physrevb.89.045116 |
0.346 |
|
| 2014 |
Shaltaf R, Juwhari HK, Hamad B, Khalifeh J, Rignanese G, Gonze X. Structural, electronic, vibrational, and dielectric properties of LaBGeO5 from first principles Journal of Applied Physics. 115: 074103. DOI: 10.1063/1.4866357 |
0.672 |
|
| 2014 |
Hautier G, Miglio A, Waroquiers D, Rignanese G, Gonze X. How Does Chemistry Influence Electron Effective Mass in Oxides? A High-Throughput Computational Analysis Chemistry of Materials. 26: 5447-5458. DOI: 10.1021/Cm404079A |
0.603 |
|
| 2014 |
Miglio A, Saniz R, Waroquiers D, Stankovski M, Giantomassi M, Hautier G, Rignanese G, Gonze X. Computed electronic and optical properties of SnO2 under compressive stress Optical Materials. 38: 161-166. DOI: 10.1016/J.Optmat.2014.10.017 |
0.639 |
|
| 2014 |
Van Troeye B, Gillet Y, Poncé S, Gonze X. First-principles characterization of the electronic and optical properties of hexagonal LiIO3 Optical Materials. 36: 1494-1501. DOI: 10.1016/J.Optmat.2014.04.009 |
0.747 |
|
| 2014 |
Poncé S, Antonius G, Boulanger P, Cannuccia E, Marini A, Côté M, Gonze X. Verification of first-principles codes: Comparison of total energies, phonon frequencies, electron-phonon coupling and zero-point motion correction to the gap between ABINIT and QE/Yambo Computational Materials Science. 83: 341-348. DOI: 10.1016/J.Commatsci.2013.11.031 |
0.719 |
|
| 2013 |
Hautier G, Miglio A, Ceder G, Rignanese GM, Gonze X. Identification and design principles of low hole effective mass p-type transparent conducting oxides. Nature Communications. 4: 2292. PMID 23939205 DOI: 10.1038/Ncomms3292 |
0.585 |
|
| 2013 |
Da Pieve F, Di Matteo S, Rangel T, Giantomassi M, Lamoen D, Rignanese GM, Gonze X. Origin of magnetism and quasiparticles properties in Cr-doped TiO2. Physical Review Letters. 110: 136402. PMID 23581348 DOI: 10.1103/Physrevlett.110.136402 |
0.611 |
|
| 2013 |
Gillet Y, Giantomassi M, Gonze X. First-principles study of excitonic effects in Raman intensities Physical Review B. 88. DOI: 10.1103/Physrevb.88.094305 |
0.364 |
|
| 2013 |
Bertrand B, Poncé S, Waroquiers D, Stankovski M, Giantomassi M, Mikami M, Gonze X. Quasiparticle electronic structure of barium-silicon oxynitrides for white-LED application Physical Review B. 88. DOI: 10.1103/Physrevb.88.075136 |
0.698 |
|
| 2013 |
Espejo C, Rangel T, Romero AH, Gonze X, Rignanese G. Band structure tunability in MoS2under interlayer compression: A DFT andGWstudy Physical Review B. 87. DOI: 10.1103/Physrevb.87.245114 |
0.663 |
|
| 2013 |
Waroquiers D, Lherbier A, Miglio A, Stankovski M, Poncé S, Oliveira MJT, Giantomassi M, Rignanese G, Gonze X. Band widths and gaps from the Tran-Blaha functional: Comparison with many-body perturbation theory Physical Review B. 87. DOI: 10.1103/Physrevb.87.075121 |
0.79 |
|
| 2013 |
Oliveira MJT, Gonze X. Spin–orbit effects in the bismuth atom and dimer: tight-binding and density functional theory comparison Journal of Physics B: Atomic, Molecular and Optical Physics. 46: 095101. DOI: 10.1088/0953-4075/46/9/095101 |
0.388 |
|
| 2013 |
Hautier G, Miglio A, Ceder G, Rignanese GM, Gonze X. Identification and design principles of low hole effective mass p-type transparent conducting oxides Nature Communications. 4. DOI: 10.1038/ncomms3292 |
0.513 |
|
| 2013 |
Poncé S, Bertrand B, Smet P, Poelman D, Mikami M, Gonze X. First-principles and experimental characterization of the electronic and optical properties of CaS and CaO Optical Materials. 35: 1477-1480. DOI: 10.1016/J.Optmat.2013.03.001 |
0.716 |
|
| 2012 |
Miglio A, Waroquiers D, Antonius G, Giantomassi M, Stankovski M, Côté M, Gonze X, Rignanese G-. Effects of plasmon pole models on the G0W0 electronic structure of various oxides The European Physical Journal B. 85. DOI: 10.1140/Epjb/E2012-30121-4 |
0.679 |
|
| 2012 |
Espejo C, Rangel T, Pouillon Y, Romero A, Gonze X. Wannier functions approach to van der Waals interactions in ABINIT Computer Physics Communications. 183: 480-485. DOI: 10.1016/J.Cpc.2011.11.003 |
0.338 |
|
| 2012 |
Avendaño-Franco G, Piraux B, Grüning M, Gonze X. Time-dependent density functional theory study of charge transfer in collisions Theoretical Chemistry Accounts. 131. DOI: 10.1007/S00214-012-1289-5 |
0.322 |
|
| 2011 |
Stankovski M, Antonius G, Waroquiers D, Miglio A, Dixit H, Sankaran K, Giantomassi M, Gonze X, Côté M, Rignanese GM. G0W0 band gap of ZnO: Effects of plasmon-pole models Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.241201 |
0.635 |
|
| 2011 |
Gonze X, Zwanziger JW. Density-operator theory of orbital magnetic susceptibility in periodic insulators Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.064445 |
0.339 |
|
| 2011 |
Peelaers H, Partoens B, Giantomassi M, Rangel T, Goossens E, Rignanese G, Gonze X, Peeters FM. Convergence of quasiparticle band structures of Si and Ge nanowires in theGWapproximation and the validity of scissor shifts Physical Review B. 83. DOI: 10.1103/Physrevb.83.045306 |
0.659 |
|
| 2011 |
Grüning M, Marini A, Gonze X. Implementation and testing of Lanczos-based algorithms for Random-Phase Approximation eigenproblems Computational Materials Science. 50: 2148-2156. DOI: 10.1016/J.Commatsci.2011.02.021 |
0.345 |
|
| 2010 |
Motta C, Giantomassi M, Cazzaniga M, Gaál-Nagy K, Gonze X. Implementation of techniques for computing optical properties in 0–3 dimensions, including a real-space cutoff, in ABINIT Computational Materials Science. 50: 698-703. DOI: 10.1016/J.Commatsci.2010.09.036 |
0.306 |
|
| 2010 |
Gonze X, Boulanger P, Côté M. Theoretical approaches to the temperature and zero-point motion effects on the electronic band structure Annalen Der Physik. 523: 168-178. DOI: 10.1002/Andp.201000100 |
0.46 |
|
| 2009 |
Durgun E, Ghosez P, Shaltaf R, Gonze X, Raty JY. Polarization vortices in germanium telluride nanoplatelets: a theoretical study. Physical Review Letters. 103: 247601. PMID 20366228 DOI: 10.1103/Physrevlett.103.247601 |
0.334 |
|
| 2009 |
Grüning M, Marini A, Gonze X. Exciton-plasmon States in nanoscale materials: breakdown of the Tamm-Dancoff approximation. Nano Letters. 9: 2820-4. PMID 19637906 DOI: 10.1021/Nl803717G |
0.378 |
|
| 2009 |
Shaltaf R, Rangel T, Grüning M, Gonze X, Rignanese G, Hamann DR. Electronic properties of zircon and hafnon from many-body perturbation theory Physical Review B. 79. DOI: 10.1103/Physrevb.79.195101 |
0.683 |
|
| 2009 |
Shaltaf R, Gonze X, Cardona M, Kremer RK, Siegle G. Lattice dynamics and specific heat of α-GeTe: Theoretical and experimental study Physical Review B - Condensed Matter and Materials Physics. 79. DOI: 10.1103/Physrevb.79.075204 |
0.364 |
|
| 2009 |
Gonze X, Amadon B, Anglade PM, Beuken JM, Bottin F, Boulanger P, Bruneval F, Caliste D, Caracas R, Côté M, Deutsch T, Genovese L, Ghosez P, Giantomassi M, Goedecker S, et al. ABINIT: First-principles approach to material and nanosystem properties Computer Physics Communications. 180: 2582-2615. DOI: 10.1016/J.Cpc.2009.07.007 |
0.678 |
|
| 2008 |
Shaltaf R, Rignanese GM, Gonze X, Giustino F, Pasquarello A. Band offsets at the Si/SiO2 interface from many-body perturbation theory. Physical Review Letters. 100: 186401. PMID 18518396 DOI: 10.1103/Physrevlett.100.186401 |
0.744 |
|
| 2008 |
Romero AH, Cardona M, Kremer RK, Lauck R, Siegle G, Serrano J, Gonze XC. Lattice properties of PbX (X=S, Se, Te): Experimental studies and ab initio calculations including spin-orbit effects Physical Review B - Condensed Matter and Materials Physics. 78. DOI: 10.1103/Physrevb.78.224302 |
0.334 |
|
| 2008 |
Shaltaf R, Durgun E, Raty J, Ghosez P, Gonze X. Dynamical, dielectric, and elastic properties of GeTe investigated with first-principles density functional theory Physical Review B. 78. DOI: 10.1103/Physrevb.78.205203 |
0.477 |
|
| 2008 |
Bruneval F, Gonze X. AccurateGWself-energies in a plane-wave basis using only a few empty states: Towards large systems Physical Review B. 78. DOI: 10.1103/Physrevb.78.085125 |
0.372 |
|
| 2008 |
Anglade P, Gonze X. Preconditioning of self-consistent-field cycles in density-functional theory: The extrapolar method Physical Review B. 78. DOI: 10.1103/Physrevb.78.045126 |
0.323 |
|
| 2008 |
Verstraete MJ, Torrent M, Jollet F, Zérah G, Gonze X. Density functional perturbation theory with spin-orbit coupling: Phonon band structure of lead Physical Review B. 78. DOI: 10.1103/Physrevb.78.045119 |
0.39 |
|
| 2008 |
Audouze C, Jollet F, Torrent M, Gonze X. Comparison between projector augmented-wave and ultrasoft pseudopotential formalisms at the density-functional perturbation theory level Physical Review B. 78. DOI: 10.1103/Physrevb.78.035105 |
0.362 |
|
| 2008 |
Caliste D, Pouillon Y, Verstraete M, Olevano V, Gonze X. Sharing electronic structure and crystallographic data with ETSF_IO Computer Physics Communications. 179: 748-758. DOI: 10.1016/J.Cpc.2008.05.007 |
0.316 |
|
| 2008 |
Torrent M, Jollet F, Bottin F, Zérah G, Gonze X. Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure Computational Materials Science. 42: 337-351. DOI: 10.1016/J.Commatsci.2007.07.020 |
0.324 |
|
| 2007 |
Díaz-Sánchez LE, Romero AH, Gonze X. Phonon band structure and interatomic force constants for bismuth: Crucial role of spin-orbit interaction Physical Review B. 76. DOI: 10.1103/Physrevb.76.104302 |
0.389 |
|
| 2007 |
Grüning M, Gonze X. Macroscopic limit of time-dependent density-functional theory for adiabatic local approximations of the exchange-correlation kernel Physical Review B. 76. DOI: 10.1103/Physrevb.76.035126 |
0.411 |
|
| 2006 |
Caracas R, Gonze X. First-principles study of high-temperature phases ofK2SeO4 Physical Review B. 74. DOI: 10.1103/Physrevb.74.195111 |
0.365 |
|
| 2006 |
Verstraete MJ, Gonze X. Phonon band structure and electron-phonon interactions in metallic nanowires Physical Review B. 74. DOI: 10.1103/Physrevb.74.153408 |
0.403 |
|
| 2006 |
Audouze C, Jollet F, Torrent M, Gonze X. Projector augmented-wave approach to density-functional perturbation theory Physical Review B. 73. DOI: 10.1103/Physrevb.73.235101 |
0.359 |
|
| 2006 |
Solomko V, Verstraete M, Delcorte A, Garrison BJ, Gonze X, Bertrand P. Modeling the dissociation and ionization of a sputtered organic molecule Applied Surface Science. 252: 6459-6462. DOI: 10.1016/J.Apsusc.2006.02.075 |
0.318 |
|
| 2005 |
Fuchs M, Niquet YM, Gonze X, Burke K. Describing static correlation in bond dissociation by Kohn-Sham density functional theory. The Journal of Chemical Physics. 122: 094116. PMID 15836121 DOI: 10.1063/1.1858371 |
0.369 |
|
| 2005 |
Gonze X, Rignanese GM, Verstraete M, Beuken JM, Pouillon Y, Caracas R, Jollet F, Torrent M, Zerah G, Mikami M, Ghosez P, Veithen M, Raty JY, Olevano V, Bruneval F, et al. A brief introduction to the ABINIT software package Zeitschrift Fur Kristallographie. 220: 558-562. DOI: 10.1524/Zkri.220.5.558.65066 |
0.605 |
|
| 2005 |
Caracas R, Gonze X. First-principle study of materials involved in incommensurate transitions Zeitschrift FüR Kristallographie - Crystalline Materials. 220. DOI: 10.1524/Zkri.220.5.511.65064 |
0.366 |
|
| 2005 |
Gonze X, Rignanese G, Caracas R. First-principle studies of the lattice dynamics of crystals, and related properties Zeitschrift FüR Kristallographie - Crystalline Materials. 220. DOI: 10.1524/Zkri.220.5.458.65077 |
0.671 |
|
| 2005 |
Veithen M, Gonze X, Ghosez P. Nonlinear optical susceptibilities, Raman efficiencies, and electro-optic tensors from first-principles density functional perturbation theory Physical Review B. 71. DOI: 10.1103/Physrevb.71.125107 |
0.36 |
|
| 2005 |
Caracas R, Gonze X. First-principles determination of the dynamical properties ofPb2MgTeO6 Physical Review B. 71. DOI: 10.1103/Physrevb.71.054101 |
0.379 |
|
| 2005 |
Rignanese G, Rocquefelte X, Gonze X, Pasquarello A. Erratum: Titanium oxides and silicates as high-? dielectrics: A first-principles investigation by G.-M. Rignanese, X. Rocquefelte, X. Gonze, Alfredo Pasquarello International Journal of Quantum Chemistry. 103: 354-354. DOI: 10.1002/Qua.20643 |
0.549 |
|
| 2005 |
Rignanese G, Rocquefelte X, Gonze X, Pasquarello A. Titanium oxides and silicates as high-κ dielectrics: A first-principles investigation International Journal of Quantum Chemistry. 101: 793-801. DOI: 10.1002/Qua.20339 |
0.629 |
|
| 2005 |
Niquet YM, Fuchs M, Gonze X. Avoiding asymptotic divergence of the potential from orbital- and energy-dependent exchange-correlation functionals International Journal of Quantum Chemistry. 101: 635-644. DOI: 10.1002/Qua.20320 |
0.344 |
|
| 2004 |
Veithen M, Gonze X, Ghosez P. First-principles study of the electro-optic effect in ferroelectric oxides. Physical Review Letters. 93: 187401. PMID 15525206 DOI: 10.1103/Physrevlett.93.187401 |
0.307 |
|
| 2004 |
Gonze X, Finocchi F. Pseudopotentials Plane Waves–Projector Augmented Waves: A Primer Physica Scripta. 2004: 40-47. DOI: 10.1238/Physica.Topical.109A00040 |
0.307 |
|
| 2004 |
Niquet YM, Gonze X. Band-gap energy in the random-phase approximation to density-functional theory Physical Review B. 70. DOI: 10.1103/Physrevb.70.245115 |
0.389 |
|
| 2004 |
Verstraete MJ, Dumont J, Sporken R, Johnson RL, Wiame F, Temst K, Swerts J, Mirabella F, Ghijsen J, Gonze X. Structural and electronic properties ofAg−Pdsuperlattices Physical Review B. 70. DOI: 10.1103/Physrevb.70.205427 |
0.391 |
|
| 2004 |
Rignanese G, Gonze X, Pasquarello A. Erratum: First-principles study of structural, electronic, dynamical, and dielectric properties of zircon [Phys. Rev. B63, 104305 (2001)] Physical Review B. 70. DOI: 10.1103/Physrevb.70.099904 |
0.621 |
|
| 2004 |
Rignanese G, Gonze X, Jun G, Cho K, Pasquarello A. Erratum: First-principles investigation of high-κdielectrics: Comparison between the silicates and oxides of hafnium and zirconium [Phys. Rev. B69, 184301 (2004)] Physical Review B. 70. DOI: 10.1103/Physrevb.70.099903 |
0.565 |
|
| 2004 |
Umari P, Gonze X, Pasquarello A. Density-functional perturbational theory for dielectric tensors in the ultrasoft pseudopotential scheme Physical Review B. 69. DOI: 10.1103/Physrevb.69.235102 |
0.372 |
|
| 2004 |
Rignanese G, Gonze X, Jun G, Cho K, Pasquarello A. First-principles investigation of high-κdielectrics: Comparison between the silicates and oxides of hafnium and zirconium Physical Review B. 69. DOI: 10.1103/Physrevb.69.184301 |
0.639 |
|
| 2004 |
Caracas R, Gonze X. Structural, electronic, and dynamical properties of calaveriteAuTe2under pressure Physical Review B. 69. DOI: 10.1103/Physrevb.69.144114 |
0.38 |
|
| 2004 |
Rignanese G, Charlier J, Gonze X. First-principles molecular-dynamics investigation of the hydration mechanisms of the (0001) α-quartz surface Phys. Chem. Chem. Phys.. 6: 1920-1925. DOI: 10.1039/B311842H |
0.555 |
|
| 2004 |
Verstraete M, Dumont J, Mirabella F, Wiame F, Temst K, Swerts J, Ghijsen J, Sporken R, Gonze X. Electronic structure of Ag–Pd heterostructures Computational Materials Science. 30: 34-43. DOI: 10.1016/J.Commatsci.2004.01.007 |
0.359 |
|
| 2004 |
Verstraete M, Gonze X. Metals at finite temperature: a modified smearing scheme Computational Materials Science. 30: 27-33. DOI: 10.1016/J.Commatsci.2004.01.006 |
0.343 |
|
| 2003 |
Niquet YM, Fuchs M, Gonze X. Comment on "investigation of the correlation potential from Kohn-Sham perturbation theory". Physical Review Letters. 90: 219301; discussion 2. PMID 12786599 DOI: 10.1103/Physrevlett.90.219301 |
0.335 |
|
| 2003 |
Umari P, Gonze X, Pasquarello A. Concentration of small ring structures in vitreous silica from a first-principles analysis of the Raman spectrum. Physical Review Letters. 90: 027401. PMID 12570576 DOI: 10.1103/Physrevlett.90.027401 |
0.354 |
|
| 2003 |
Verstraete M, Gonze X. First-principles calculation of the electronic, dielectric, and dynamical properties ofCaF2 Physical Review B. 68. DOI: 10.1103/Physrevb.68.195123 |
0.46 |
|
| 2003 |
Niquet YM, Fuchs M, Gonze X. Exchange-correlation potentials in the adiabatic connection fluctuation-dissipation framework Physical Review A. 68. DOI: 10.1103/Physreva.68.032507 |
0.306 |
|
| 2002 |
Rignanese GM, Detraux F, Gonze X, Bongiorno A, Pasquarello A. Dielectric constants of Zr silicates: a first-principles study. Physical Review Letters. 89: 117601. PMID 12225168 DOI: 10.1103/Physrevlett.89.117601 |
0.617 |
|
| 2002 |
Veithen M, Gonze X, Ghosez P. Electron localization: Band-by-band decomposition and application to oxides Physical Review B. 66. DOI: 10.1103/Physrevb.66.235113 |
0.429 |
|
| 2002 |
Rignanese G, Charlier J, Gonze X. First-principles study of vibrational and dielectric properties ofC3N4polymorphs Physical Review B. 66. DOI: 10.1103/Physrevb.66.205416 |
0.627 |
|
| 2002 |
Caracas R, Gonze X. First-principles study ofSn2P2Se6ferroelectrics Physical Review B. 66. DOI: 10.1103/Physrevb.66.104106 |
0.404 |
|
| 2002 |
Fuchs M, Gonze X. Accurate density functionals: Approaches using the adiabatic-connection fluctuation-dissipation theorem Physical Review B. 65. DOI: 10.1103/Physrevb.65.235109 |
0.345 |
|
| 2002 |
Caracas R, Gonze X. First-principles study ofPb2MgTeO6: High-Tcubic phase and average low-Trhombohedral phase Physical Review B. 65. DOI: 10.1103/Physrevb.65.184103 |
0.36 |
|
| 2002 |
Gonze X, Beuken J, Caracas R, Detraux F, Fuchs M, Rignanese G, Sindic L, Verstraete M, Zerah G, Jollet F, Torrent M, Roy A, Mikami M, Ghosez P, Raty J, et al. First-principles computation of material properties: the ABINIT software project Computational Materials Science. 25: 478-492. DOI: 10.1016/S0927-0256(02)00325-7 |
0.611 |
|
| 2001 |
Caracas R, Gonze X. Ab initio determination of the valence electron distribution in the average structure of the incommensurately modulated calaverite AuTe2. Acta Crystallographica. Section B, Structural Science. 57: 633-7. PMID 11574718 DOI: 10.1107/S0108768101011387 |
0.419 |
|
| 2001 |
Verstraete M, Gonze X. Smearing scheme for finite-temperature electronic-structure calculations Physical Review B. 65. DOI: 10.1103/Physrevb.65.035111 |
0.353 |
|
| 2001 |
Rignanese G, Detraux F, Gonze X, Pasquarello A. First-principles study of dynamical and dielectric properties of tetragonal zirconia Physical Review B. 64. DOI: 10.1103/Physrevb.64.134301 |
0.664 |
|
| 2001 |
Nunes RW, Gonze X. Berry-phase treatment of the homogeneous electric field perturbation in insulators Physical Review B. 63. DOI: 10.1103/Physrevb.63.155107 |
0.345 |
|
| 2001 |
Detraux F, Gonze X. Photoelasticity ofα-quartz from first principles Physical Review B. 63. DOI: 10.1103/Physrevb.63.115118 |
0.339 |
|
| 2001 |
Rignanese G, Gonze X, Pasquarello A. First-principles study of structural, electronic, dynamical, and dielectric properties of zircon Physical Review B. 63. DOI: 10.1103/Physrevb.63.104305 |
0.692 |
|
| 2001 |
Wojciechowski I, Delcorte A, Gonze X, Bertrand P. Mechanism of metal cationization in organic SIMS Chemical Physics Letters. 346: 1-8. DOI: 10.1016/S0009-2614(01)00931-9 |
0.323 |
|
| 2000 |
Mikami M, Nakamura S, Kitao O, Arakawa H, Gonze X. First-Principles Study of Titanium Dioxide: Rutile and Anatase Japanese Journal of Applied Physics. 39: L847-L850. DOI: 10.1143/Jjap.39.L847 |
0.46 |
|
| 2000 |
Rignanese G-, Vita AD, Charlier J-, Gonze X, Car R. First-principles molecular-dynamics study of the (0001) alpha-quartz surface Physical Review B. 61: 13250-13255. DOI: 10.1103/Physrevb.61.13250 |
0.325 |
|
| 2000 |
Ghosez P, Gonze X. Band-by-band decompositions of the Born effective charges Journal of Physics: Condensed Matter. 12: 9179-9188. DOI: 10.1088/0953-8984/12/43/308 |
0.348 |
|
| 2000 |
Rignanese GM, De Vita A, Charlier JC, Gonze X, Car R. First-principles molecular-dynamics study of the (0001) α-quartz surface Physical Review B - Condensed Matter and Materials Physics. 61: 13250-13255. |
0.491 |
|
| 1999 |
Gonze X, Scheffler M. Exchange and Correlation Kernels at the Resonance Frequency: Implications for Excitation Energies in Density-Functional Theory Physical Review Letters. 82: 4416-4419. DOI: 10.1103/Physrevlett.82.4416 |
0.399 |
|
| 1999 |
Ghosez P, Gonze X, Michenaud J-. First-principles characterization of the four phases of barium titanate Ferroelectrics. 220: 1-15. DOI: 10.1080/00150199908007992 |
0.323 |
|
| 1998 |
Ghosez P, Michenaud J, Gonze X. Dynamical atomic charges: The case ofABO3compounds Physical Review B. 58: 6224-6240. DOI: 10.1103/Physrevb.58.6224 |
0.32 |
|
| 1998 |
Travaly Y, Bertrand P, Rignanese G, Gonze X. Theoretical Modeling of the Nucleation and Growth of Aluminium Films Thermally Evaporated onto Poly(ethylene terephthalate) Substrate The Journal of Adhesion. 66: 339-355. DOI: 10.1080/00218469808009973 |
0.594 |
|
| 1998 |
Ghosez PH, Gonze X, Michenaud JP. AB initio phonon dispersion curves and interatomic force constants of barium titanate Ferroelectrics. 206: 205-217. DOI: 10.1080/00150199808009159 |
0.316 |
|
| 1998 |
Gonze X. Interatomic Force Constants in Periodic Solids from Density Functional Perturbation Theory Advances in Quantum Chemistry. 33: 225-239. DOI: 10.1016/S0065-3276(08)60438-4 |
0.372 |
|
| 1998 |
Savin A, Umrigar C, Gonze X. Relationship of Kohn–Sham eigenvalues to excitation energies Chemical Physics Letters. 288: 391-395. DOI: 10.1016/S0009-2614(98)00316-9 |
0.372 |
|
| 1997 |
Rignanese GM, Pasquarello A, Charlier JC, Gonze X, Car R. Nitrogen incorporation at Si(001)-SiO2 interfaces: Relation between N 1s core-level shifts and microscopic structure Physical Review Letters. 79: 5174-5177. DOI: 10.1103/Physrevlett.79.5174 |
0.597 |
|
| 1997 |
Gonze X, Ghosez P, Godby RW. Density-Functional Theory of Polar Insulators Physical Review Letters. 78: 294-297. DOI: 10.1103/Physrevlett.78.294 |
0.348 |
|
| 1997 |
Detraux F, Ghosez P, Gonze X. Anomalously large Born effective charges in cubicWO3 Physical Review B. 56: 983-985. DOI: 10.1103/Physrevb.56.983 |
0.305 |
|
| 1997 |
Lee C, Gonze X. SiO2stishovite under high pressure: Dielectric and dynamical properties and the ferroelastic phase transition Physical Review B. 56: 7321-7330. DOI: 10.1103/Physrevb.56.7321 |
0.34 |
|
| 1997 |
Ghosez P, Gonze X, Godby RW. Long-wavelength behavior of the exchange-correlation kernel in the Kohn-Sham theory of periodic systems Physical Review B. 56: 12811-12817. DOI: 10.1103/Physrevb.56.12811 |
0.397 |
|
| 1997 |
Gonze X, Lee C. Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory Physical Review B. 55: 10355-10368. DOI: 10.1103/Physrevb.55.10355 |
0.421 |
|
| 1997 |
Gonze X. First-principles responses of solids to atomic displacements and homogeneous electric fields: Implementation of a conjugate-gradient algorithm Physical Review B. 55: 10337-10354. DOI: 10.1103/Physrevb.55.10337 |
0.343 |
|
| 1997 |
Ghosez P, Gonze X, Michenaud J. Lattice dynamics and ferroelectric instability of barium titanate Ferroelectrics. 194: 39-54. DOI: 10.1080/00150199708016081 |
0.35 |
|
| 1997 |
Filippi C, Umrigar CJ, Gonze X. Excitation energies from density functional perturbation theory Journal of Chemical Physics. 107: 9994-10002. DOI: 10.1063/1.475304 |
0.418 |
|
| 1996 |
Gonze X. Towards A Potential-Based Conjugate Gradient Algorithm For Order-N Self-Consistent Total Energy Calculations Physical Review B. 54: 4383-4386. PMID 9986376 DOI: 10.1103/Physrevb.54.4383 |
0.321 |
|
| 1996 |
Rignanese G, Michenaud J, Gonze X. Ab initio study of the volume dependence of dynamical and thermodynamical properties of silicon Physical Review B. 53: 4488-4497. PMID 9984004 DOI: 10.1103/Physrevb.53.4488 |
0.598 |
|
| 1996 |
Filippi C, Umrigar CJ, Gonze X. Separation of the exchange-correlation potential into exchange plus correlation: An optimized effective potential approach. Physical Review. A. 54: 4810-4814. PMID 9914046 DOI: 10.1103/Physreva.54.4810 |
0.365 |
|
| 1996 |
Gonze X. Erratum: Adiabatic density-functional perturbation theory Physical Review A. 54: 4591-4591. PMID 9914017 DOI: 10.1103/Physreva.54.4591 |
0.377 |
|
| 1996 |
Ghosez P, Gonze X, Michenaud J. Coulomb interaction and ferroelectric instability of BaTiO
3 Europhysics Letters (Epl). 33: 713-718. DOI: 10.1209/Epl/I1996-00404-8 |
0.332 |
|
| 1996 |
Ghosez P, Gonze X, Michenaud J-. Role of the coulomb interaction on the ferroelectric instability of barium titanate Ferroelectrics. 186: 73-76. DOI: 10.1080/00150199608218036 |
0.333 |
|
| 1996 |
Filippi C, Gonze X, Umrigar CJ. Generalized gradient approximations to density functional theory: comparison with exact results Theoretical and Computational Chemistry. 4: 295-326. DOI: 10.1016/S1380-7323(96)80090-2 |
0.384 |
|
| 1995 |
Gonze X, Ghosez P, Godby RW. Density-Polarization Functional Theory of the Response of a Periodic Insulating Solid to an Electric Field. Physical Review Letters. 74: 4035-4038. PMID 10058396 DOI: 10.1103/Physrevlett.74.4035 |
0.346 |
|
| 1995 |
Rignanese G, Ghosez P, Charlier J, Michenaud J, Gonze X. Scaling hypothesis for corrections to total energy and stress in plane-wave-based ab initio calculations. Physical Review. B, Condensed Matter. 52: 8160-8178. PMID 9979814 DOI: 10.1103/Physrevb.52.8160 |
0.614 |
|
| 1995 |
Ghosez P, Gonze X, Lambin P, Michenaud J. Born Effective Charges of Barium-titanate - Band-by-band Decomposition and Sensitivity To Structural Features Physical Review B. 51: 6765-6768. PMID 9977223 DOI: 10.1103/Physrevb.51.6765 |
0.378 |
|
| 1995 |
Gonze X. Adiabatic density-functional perturbation theory. Physical Review A. 52: 1096-1114. PMID 9912349 DOI: 10.1103/Physreva.52.1096 |
0.378 |
|
| 1995 |
Gonze X. Perturbation Expansion of Variational-principles At Arbitrary Order Physical Review A. 52: 1086-1095. PMID 9912348 DOI: 10.1103/Physreva.52.1086 |
0.363 |
|
| 1995 |
Charlier J, Gonze X, Michenaud J. First-Principles Study of Carbon Nanotube Solid-State Packings Europhysics Letters (Epl). 29: 43-48. DOI: 10.1209/0295-5075/29/1/008 |
0.388 |
|
| 1995 |
Lee C, Gonze X. The pressure-induced ferroelastic phase transition of SiO2stishovite Journal of Physics: Condensed Matter. 7: 3693-3698. DOI: 10.1088/0953-8984/7/19/003 |
0.309 |
|
| 1995 |
Ghosez P, Gonze X, Michenaud J-. A microscopic study of barium titanate Ferroelectrics. 164: 113-121. DOI: 10.1080/00150199508221833 |
0.454 |
|
| 1994 |
Umrigar CJ, Gonze X. Accurate exchange-correlation potentials and total-energy components for the helium isoelectronic series. Physical Review. A. 50: 3827-3837. PMID 9911351 DOI: 10.1103/Physreva.50.3827 |
0.377 |
|
| 1994 |
Charlier J, Gonze X, Michenaud J. Graphite Interplanar Bonding: Electronic Delocalization and van der Waals Interaction Europhysics Letters (Epl). 28: 403-408. DOI: 10.1209/0295-5075/28/6/005 |
0.334 |
|
| 1994 |
Charlier J, Gonze X, Michenaud J. Ab InitioStructure of Graphite Monofluoride (CF)n Molecular Crystals and Liquid Crystals Science and Technology. Section a. Molecular Crystals and Liquid Crystals. 245: 135-140. DOI: 10.1080/10587259408051678 |
0.35 |
|
| 1994 |
Ghosez P, Gonze X, Michenaud JP. First principle calculations of dielectric and effective charge tensors in barium titanate Ferroelectrics. 153: 91-96. DOI: 10.1080/00150199408016548 |
0.38 |
|
| 1994 |
Charlier J, Gonze X, Michenaud J. First-principles study of the stacking effect on the electronic properties of graphite(s) Carbon. 32: 289-299. DOI: 10.1016/0008-6223(94)90192-9 |
0.461 |
|
| 1993 |
Charlier J, Gonze X, Michenaud J. First-principles study of graphite monofluoride (CF)n. Physical Review. B, Condensed Matter. 47: 16162-16168. PMID 10006037 DOI: 10.1103/Physrevb.47.16162 |
0.356 |
|
| 1992 |
Gonze X, Allan DC, Teter MP. Dielectric tensor, effective charges, and phonons in alpha -quartz by variational density-functional perturbation theory. Physical Review Letters. 68: 3603-3606. PMID 10045746 DOI: 10.1103/Physrevlett.68.3603 |
0.394 |
|
| 1992 |
Charlier J, Michenaud J, Gonze X. First-principles study of the electronic properties of simple hexagonal graphite. Physical Review. B, Condensed Matter. 46: 4531-4539. PMID 10004207 DOI: 10.1103/Physrevb.46.4531 |
0.426 |
|
| 1991 |
Charlier J, Michenaud J, Gonze X, Vigneron J. Tight-binding model for the electronic properties of simple hexagonal graphite. Physical Review. B, Condensed Matter. 44: 13237-13249. PMID 9999523 DOI: 10.1103/Physrevb.44.13237 |
0.385 |
|
| 1991 |
Gonze X, Sporken R, Vigneron JP, Caudano R, Ghijsen J, Johnson RL, Ley L, Richter HW. Electronic structure of antimony from density-functional calculations and angle-resolved photoemission. Physical Review. B, Condensed Matter. 44: 11023-11028. PMID 9999219 DOI: 10.1103/Physrevb.44.11023 |
0.454 |
|
| 1991 |
Gonze X, Stumpf R, Scheffler M. Analysis of separable potentials Physical Review B. 44: 8503-8513. PMID 9998805 DOI: 10.1103/Physrevb.44.8503 |
0.408 |
|
| 1991 |
Charlier J, Gonze X, Michenaud J. First-principles study of the electronic properties of graphite. Physical Review. B, Condensed Matter. 43: 4579-4589. PMID 9997825 DOI: 10.1103/Physrevb.43.4579 |
0.469 |
|
| 1990 |
Fleszar A, Gonze X. First-principles thermodynamical properties of semiconductors. Physical Review Letters. 64: 2961-2961. PMID 10041857 DOI: 10.1103/Physrevlett.64.2961 |
0.328 |
|
| 1990 |
Gonze X, Käckell P, Scheffler M. Ghost States for Separable, Norm-Conserving, Ab-Initio Pseudopotentials Physical Review B. 41: 12264-12267. PMID 9993682 DOI: 10.1103/Physrevb.41.12264 |
0.337 |
|
| 1990 |
Gonze X, Michenaud J, Vigneron J. First-principles study of As, Sb, and Bi electronic properties Physical Review B. 41: 11827-11836. PMID 9993632 DOI: 10.1103/Physrevb.41.11827 |
0.429 |
|
| 1989 |
Gonze X, Vigneron J. Density-functional approach to nonlinear-response coefficients of solids. Physical Review B. 39: 13120-13128. PMID 9948209 DOI: 10.1103/Physrevb.39.13120 |
0.394 |
|
| 1988 |
Gonze X, Michenaud J, Vigneron J. Ab initiocalculations of bismuth properties, including spin–orbit coupling Physica Scripta. 37: 785-789. DOI: 10.1088/0031-8949/37/5/022 |
0.376 |
|
| 1987 |
Bayot V, Delannay F, Dewitte C, Erauw J, Gonze X, Issi J, Jonas A, Kinany-Alaoui M, Lambricht M, Michenaud J, Minet J, Piraux L. Strong electron-phonon coupling from thermal conductivity measurements in a YBa2Cu3O7-type superconducting compound Solid State Communications. 63: 983-986. DOI: 10.1016/0038-1098(87)90644-2 |
0.352 |
|
| 1985 |
Gonze X, Michenaud J-. Impurity magnetostriction in narrow-gap semiconductors Journal of Physics C: Solid State Physics. 18: 5361-5365. DOI: 10.1088/0022-3719/18/27/022 |
0.302 |
|
| Show low-probability matches. |