Zobrazeno 1 - 10
of 64
pro vyhledávání: '"Christoph, Heil"'
Publikováno v:
npj Computational Materials, Vol 10, Iss 1, Pp 1-12 (2024)
Abstract We demonstrate a machine learning-based approach which predicts the properties of crystal structures following relaxation based on the unrelaxed structure. Use of crystal graph singular values reduces the number of features required to descr
Externí odkaz:
https://doaj.org/article/60c34f11cfe34b5d968279472e1fe4c5
Autor:
Roman Lucrezi, Pedro P. Ferreira, Samad Hajinazar, Hitoshi Mori, Hari Paudyal, Elena R. Margine, Christoph Heil
Publikováno v:
Communications Physics, Vol 7, Iss 1, Pp 1-13 (2024)
Abstract Migdal-Eliashberg theory is one of the state-of-the-art methods for describing conventional superconductors from first principles. However, widely used implementations assume a constant density of states around the Fermi level, which hinders
Externí odkaz:
https://doaj.org/article/2f9b3595719a405fbd0e35ddb9cb72e7
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-7 (2024)
Abstract In this work, we resolve conflicting experimental and theoretical findings related to the dynamical stability and superconducting properties of $$Fm\bar{3}m$$ F m 3 ¯ m -LuH3, which was recently suggested as the parent phase harboring room-
Externí odkaz:
https://doaj.org/article/3ecb53907951472da94b653d05414cc1
Publikováno v:
Communications Physics, Vol 6, Iss 1, Pp 1-8 (2023)
Abstract The quantum nature of the hydrogen lattice in superconducting hydrides can have crucial effects on the material’s properties. Taking a detailed look at the dynamic stability of the recently predicted BaSiH8 phase, we find that the inclusio
Externí odkaz:
https://doaj.org/article/2d0f52fe3a204c14ba2d35b7aa2e5af8
Autor:
Pedro P. Ferreira, Lewis J. Conway, Alessio Cucciari, Simone Di Cataldo, Federico Giannessi, Eva Kogler, Luiz T. F. Eleno, Chris J. Pickard, Christoph Heil, Lilia Boeri
Publikováno v:
Nature Communications, Vol 14, Iss 1, Pp 1-10 (2023)
Abstract Motivated by the recent report of room-temperature superconductivity at near-ambient pressure in N-doped lutetium hydride, we performed a comprehensive, detailed study of the phase diagram of the Lu–N–H system, looking for superconductin
Externí odkaz:
https://doaj.org/article/9cf0c45b95294a90b279a4e39f2ab7bb
Publikováno v:
npj Computational Materials, Vol 8, Iss 1, Pp 1-7 (2022)
Abstract We report the theoretical prediction of two high-performing hydride superconductors BaSiH8 and SrSiH8. They are thermodynamically stable above pressures of 130 and 174 GPa, respectively, and metastable below that. Employing anharmonic phonon
Externí odkaz:
https://doaj.org/article/5c73e913a9784c4bb8d8e3b26b19fe04
Autor:
Christoph Heil
Publikováno v:
Biblische Zeitschrift. 67:159-162
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::32c591f93dbaf8affb88011fc8cfb257
https://doi.org/10.30965/25890468-06701013
https://doi.org/10.30965/25890468-06701013
Publikováno v:
Physical Review B. 105
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::266426e00233ed79d7e229db035a5f74
https://doi.org/10.1103/physrevb.105.l180505
https://doi.org/10.1103/physrevb.105.l180505
Publikováno v:
Journal of Materials Chemistry C. 8:16404-16417
The tin-selenide and tin-sulfide classes of materials undergo multiple structural transitions under high pressure leading to periodic lattice distortions, superconductivity, and topologically non-trivial phases, yet a number of controversies exist re
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::75598d8ed9474e6b63bdf8235c12c55c
https://doi.org/10.1039/d0tc04356g
https://doi.org/10.1039/d0tc04356g
We report the theoretical prediction of two high-performing hydride superconductors BaSiH$_8$ and SrSiH$_8$. They are thermodynamically stable above pressures of $130$ and $174\,\text{GPa}$, respectively, and metastable below that. Employing anharmon
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c6db26f9bc16187d59b767d15edb1832
http://arxiv.org/abs/2112.02131
http://arxiv.org/abs/2112.02131
