Superconductivity and topological states in hexagonal TaC and NbC

Autor:	Xiang-Gui Li, Jian-Guo Si, Lan-Ting Shi, Peng-Fei Liu, Ping Zhang, Bao-Tian Wang
Rok vydání:	2022
Předmět:	General Physics and Astronomy Physical and Theoretical Chemistry
Zdroj:	Physical Chemistry Chemical Physics. 24:18419-18426
ISSN:	1463-9084 1463-9076
DOI:	10.1039/d2cp02403a
Popis:	Materials with superconductivity and a nontrivial band structure near the Fermi level are promising candidates in realizing topological superconductivity. Using first-principles calculations, we systematically investigated the stability, mechanical properties, superconductivity, electronic structures, and topological states of hexagonal TaC and NbC. The results show that they are stable and have excellent mechanical properties. We predicted that these two carbides are strong electron-phonon coupling superconductors with superconducting transition temperatures of 14.8 and 17.1 K, respectively. Strong coupling is mainly dominated by in-plane Ta/Nb atomic vibrations and in-plane Ta/Nb-d
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ef58a4123b702c0e42855edcc544e5ab https://doi.org/10.1039/d2cp02403a Zobrazit plný text záznamu