Výsledky vyhledávání

Report

Electron-Phonon Coupling using Many-Body Perturbation Theory: Implementation in the Questaal Electronic Structure Suite

Autor: Laricchia, Savio, Eichstaedt, Casey, Pashov, Dimitar, van Schilfgaarde, Mark

The ability to calculate the electron-phonon coupling (e-ph) from first principles is of tremendous interest in materials science, as it provides a non-empirical approach to understand and predict a wide range of phenomena. While this has largely bee

Externí odkaz: http://arxiv.org/abs/2404.02902

Zobrazit plný text záznamu

Report

First-principles study of electronic transport and structural properties of Cu$_{12}$Sb$_4$S$_{13}$ in its high-temperature phase

Autor: di Paola, Cono, Macheda, Francesco, Laricchia, Savio, Weber, Cedric, Bonini, Nicola

We present an ab initio study of the structural and electronic transport properties of tetrahedrite, Cu$_{12}$Sb$_4$S$_{13}$, in its high-temperature phase. We show how this complex compound can be seen as the outcome of an ordered arrangement of S-v

Externí odkaz: http://arxiv.org/abs/2007.01809

Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání