Xavier Gonze

Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine — UA

Physics and Astronomy · Physical Sciences

76h-index34.7kcitations437works2.42yr avg
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Research Topics

Advanced Chemical Physics Studies(99), High-pressure geophysics and materials(57), Solid-state spectroscopy and crystallography(41), Spectroscopy and Quantum Chemical Studies(31), Physics of Superconductivity and Magnetism(30)

Publications437 total

Low-temperature behavior of density-functional theory for metals based on density-functional perturbation theory and Sommerfeld expansion
arXiv (Cornell University)·2025Open Access
Abinit 2025: New capabilities for the predictive modeling of solids and nanomaterials
The Journal of Chemical Physics·2025· 5 citedOpen Access
Charge density waves and structural phase transition in the high-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>T</mml:mi><mml:mi>c</mml:mi></mml:msub></mml:math> superconducting <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>LaH</mml:mi><mml:mn>10</mml:mn></mml:msub></mml:math> quantum crystal
Physical review. B./Physical review. B·2025· 1 citedOpen Access
Correct space group determination of 2D materials
Physical Review Materials·2025Open Access
Anisotropic temperature-dependent lattice parameters and elastic constants from first principles
npj Computational Materials·2025· 1 citedOpen Access
Sb<sup>IV</sup>, an Unusual Player in 2D Spintronic Devices
ACS Nano·2025Open Access
Variational first-principles approach to self-trapped polarons
Physical review. B./Physical review. B·2025· 1 citedOpen Access
Variational first-principles approach to self-trapped polarons
ArXiv.org·2025Open Access
Surface plasmon polaritons in multilayer jellium systems: Dispersion and spatial description
Physical review. B./Physical review. B·2025Open Access
Second-Harmonic Generation Response in Nitridophosphates <i>M</i>P<sub>2</sub>N<sub>4</sub> (M = Ge, Sn, Pb) and the Role of Stereochemically Active Lone Pairs
Chemistry of Materials·2025· 3 citedOpen Access
Anisotropic temperature-dependent lattice parameters and elastic constants from first principles
arXiv (Cornell University)·2025Open Access
Precision benchmarks for solids: <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si190.svg" display="inline" id="d1e2790"> <mml:mrow> <mml:msub> <mml:mrow> <mml:mi>G</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>0</mml:mn> </mml:mrow> </mml:msub> <mml:msub> <mml:mrow> <mml:mi>W</mml:mi> </mml:mrow> <mml:mrow> <mml:mn>0</mml:mn> </mml:mrow> </mml:msub> </mml:mrow> </mml:math> calculations with different basis sets
Computational Materials Science·2025· 3 citedOpen Access
Charge density waves and structural phase transition in the high- T4$_{c}$ superconducting $LaH_{10}$ quantum crystal
GSI Repository (German Federal Government)·2025
Surface-plasmon polaritons in multilayer jellium systems: dispersion and spatial description
arXiv (Cornell University)·2024Open Access
Precision benchmarks for solids: G0W0 calculations with different basis sets
2024Open Access
Approximations in first-principles volumetric thermal expansion determination
Physical review. B./Physical review. B·2024· 4 citedOpen Access
Validation of the GreenX library time-frequency component for efficient <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math> and RPA calculations
Physical review. B./Physical review. B·2024· 12 citedOpen Access
Polarons in the cubic generalized Fröhlich model: Spontaneous symmetry breaking
Physical review. B./Physical review. B·2024· 4 citedOpen Access
Validation of the GreenX library time-frequency component for efficient GW and RPA calculations
arXiv (Cornell University)·2024Open Access
Surface enhanced infrared absorption mechanism and modification of the plasmonic response
Journal of Physics Photonics·2024· 5 citedOpen Access
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Frequent Co-authors

Gian‐Marco Rignanese(14), Philippe Ghosez(9), Jean‐Christophe Charlier(8), Matthieu J. Verstraete(7), F. Jollet(7), Marc Torrent(7), J.-P. Michenaud(7), Matteo Giantomassi(6), D. R. Hamann(6), Fabien Bruneval(5), Michel Côté(5), Michiel J. van Setten(5), Yannick Gillet(5), Geoffroy Hautier(5), G. Zérah(4), Bernard Amadon(4), François Bottin(4), Damien Caliste(4), Josef W. Zwanziger(4), Éric Bousquet(4)