Zobrazeno 1 - 10
of 246
pro vyhledávání: '"Xavier Gonze"'
Autor:
Pedro Miguel M. C. de Melo, Joao C. de Abreu, Bogdan Guster, Matteo Giantomassi, Zeila Zanolli, Xavier Gonze, Matthieu J. Verstraete
Publikováno v:
npj Computational Materials, Vol 9, Iss 1, Pp 1-13 (2023)
Abstract The electron–phonon interaction is central to condensed matter, e.g. through electrical resistance, superconductivity or the formation of polarons, and has a strong impact on observables such as band gaps or optical spectra. The most commo
Externí odkaz:
https://doaj.org/article/45e093a7e16741d0a4e83cbe98821873
Autor:
Tanguy Colleu, Adam Fekete, Xavier Gonze, Alexandre Cloots, Vincent Liégeois, Gian-Marco Rignanese, Luc Henrard
Publikováno v:
JPhys Photonics, Vol 6, Iss 2, p 025003 (2024)
Surface enhanced infrared absorption (SEIRA) is an experimental method where trace amount of a compound can be detected with high sensibility. This high detection sensibility is the result of the interaction of the molecules with a localized plasmon,
Externí odkaz:
https://doaj.org/article/124d7202b5854bb8aad03c15605e1090
Autor:
Georgiana Sandu, Michael Coulombier, Vishank Kumar, Hailu G. Kassa, Ionel Avram, Ran Ye, Antoine Stopin, Davide Bonifazi, Jean-François Gohy, Philippe Leclère, Xavier Gonze, Thomas Pardoen, Alexandru Vlad, Sorin Melinte
Publikováno v:
Scientific Reports, Vol 8, Iss 1, Pp 1-11 (2018)
Abstract A tri-dimensional interweaving kinked silicon nanowires (k-SiNWs) assembly, with a Ni current collector co-integrated, is evaluated as electrode configuration for lithium ion batteries. The large-scale fabrication of k-SiNWs is based on a pr
Externí odkaz:
https://doaj.org/article/4d3d61cc5f5249b79f91790f2769a7d4
Publikováno v:
Scientific Reports, Vol 7, Iss 1, Pp 1-10 (2017)
Abstract Raman spectra obtained by the inelastic scattering of light by crystalline solids contain contributions from first-order vibrational processes (e.g. the emission or absorption of one phonon, a quantum of vibration) as well as higher-order pr
Externí odkaz:
https://doaj.org/article/2d74045dce804d62aa92ee2da54ef390
Autor:
Christian Tantardini, Alexander G. Kvashnin, Maryam Azizi, Xavier Gonze, Carlo Gatti, Tariq Altalhi, Boris I. Yakobson
Publikováno v:
ACS Applied Materials & Interfaces, Vol. 15, no.12, p. 16317-16326 (2023)
Ultrathin diamond films, or diamanes, are promising quasi-2D materials that are characterized by high stiffness, extreme wear resistance, high thermal conductivity, and chemical stability. Surface functionalization of multilayer graphene with differe
Publikováno v:
Physical Review B, Vol. 107, no.11, p.-(2023)
The electronic structure of semiconductors and insulators is affected by ionic motion through electron-phonon interaction, yielding temperature-dependent band gap energies and zero-point renormalization (ZPR) at absolute zero temperature. For polar m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aeb9f1b8d72c89287b62f43591686e23
https://hdl.handle.net/2078.1/276846
https://hdl.handle.net/2078.1/276846
Publikováno v:
Physical Chemistry Chemical Physics, Vol. 24, no.20, p. 12580-12591 (2022)
Polarons are quasi-particles made from electrons interacting with vibrations in crystal lattices. They derive their name from the strong electron-vibration polar interaction in ionic systems, that induces associated spectroscopic and optical signatur
Publikováno v:
Journal of Chemical Theory and Computation, Vol. 18, no.10, p. 6099-6110 (2022)
Chemical reactions, charge transfer reactions, and magnetic materials are notoriously difficult to describe within Kohn–Sham density functional theory, which is strictly a ground-state technique. However, over the last few decades, an approximate m
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6bad2b69259591dea7cb9b75b8bb1f95
https://hdl.handle.net/10037/28273
https://hdl.handle.net/10037/28273
Publikováno v:
Physical Review B, Vol. 105, no.21, p. 214301 (2022)
Starting from recent advances in the first-principles modeling of polarons, variational polaron equations in the strong-coupling adiabatic approximation are formulated in Bloch space. In this framework, polaron formation energy as well as individual
Autor:
Dmitrii V, Semenok, Wuhao, Chen, Xiaoli, Huang, Di, Zhou, Ivan A, Kruglov, Arslan B, Mazitov, Michele, Galasso, Christian, Tantardini, Xavier, Gonze, Alexander G, Kvashnin, Artem R, Oganov, Tian, Cui
Publikováno v:
Advanced materials (Deerfield Beach, Fla.). 34(27)
Recently, several research groups announced reaching the point of metallization of hydrogen above 400 GPa. Despite notable progress, detecting superconductivity in compressed hydrogen remains an unsolved problem. Following the mainstream of extensive