Zobrazeno 1 - 3
of 3
pro vyhledávání: '"Manuel Grumet"'
Autor:
Sebastián Caicedo-Dávila, Adi Cohen, Silvia G. Motti, Masahiko Isobe, Kyle M. McCall, Manuel Grumet, Maksym V. Kovalenko, Omer Yaffe, Laura M. Herz, Douglas H. Fabini, David A. Egger
Publikováno v:
Nature Communications, Vol 15, Iss 1, Pp 1-10 (2024)
Abstract Halide perovskites show great optoelectronic performance, but their favorable properties are paired with unusually strong anharmonicity. It was proposed that this combination derives from the n s 2 electron configuration of octahedral cation
Externí odkaz:
https://doaj.org/article/55662c93cbf94685a55466d92755383c
Autor:
Thomas M. Brenner, Manuel Grumet, Paul Till, Maor Asher, Wolfgang G. Zeier, David A. Egger, Omer Yaffe
We employ THz-range temperature-dependent Raman spectroscopy and first-principles lattice-dynamical calculations to show that the undoped sodium ion conductors Na$_3$PS$_4$ and isostructural Na$_3$PSe$_4$ both exhibit anharmonic lattice dynamics. The
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a27b728186f3c1ba52d63a31f6b55e7d
http://arxiv.org/abs/2203.07955
http://arxiv.org/abs/2203.07955
Publikováno v:
Physical Review B. 98
We present quasiparticle (QP) energies from fully self-consistent $GW$ (sc$GW$) calculations for a set of prototypical semiconductors and insulators within the framework of the projector-augmented wave methodology. To obtain converged results, both f
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d6466769ceb73193ef33114079ca9eff
https://doi.org/10.1103/physrevb.98.155143
https://doi.org/10.1103/physrevb.98.155143