Origin of the type-II Weyl state in topological antiferromagnetic YbMnBi2

Autor:	Xiao-Sheng Ni, Cui-Qun Chen, Dao-Xin Yao, Yusheng Hou
Rok vydání:	2022
Předmět:	Condensed Matter - Materials Science Condensed Matter - Strongly Correlated Electrons Condensed Matter::Materials Science Strongly Correlated Electrons (cond-mat.str-el) Materials Science (cond-mat.mtrl-sci) FOS: Physical sciences Condensed Matter::Strongly Correlated Electrons
Zdroj:	Physical Review B. 105
ISSN:	2469-9969 2469-9950
DOI:	10.1103/physrevb.105.134406
Popis:	Recently, the topological nature of an antiferromagnet YbMnBi2 has been controversial. YbMnBi2 is regarded as a candidate of Type-II Weyl semimetals with magnetic moments of Mn atoms canting about 10{\deg} in some studies but as a Dirac semimetal without canting in others. By means of systematical density functional theory calculations, we show the perfect YbMnBi2 bulk has a collinear antiferromagnetic ordering and, naturally, it is a Dirac semimetal. Considering the vital role of magnetic moment canting in generating the Type-II Weyl state, we artificially cant the magnetic moments of Mn atoms and find that YbMnBi2 enters into the Type-II Weyl state from about 2{\deg}. Inspired by this and taking into account the possible defects in experiments, we suggest that Bi vacancies in Mn-Bi-Mn bonds, which produce sizable Dzyaloshinskii-Moriya interactions and thereby cant the magnetic moments of Mn atoms, can tune the topological nature of YbMnBi2 from Dirac semimetals to Type-II Weyl semimetals. Our work unveils the possible underlying mechanism for the Type-II Weyl state in YbMnBi2, providing insights into the Weyl state in other magnetic topological materials. Comment: 13 pages, 3 figures, 1 table
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::47ee1b7e1f6350fc255f49da28b0bf0b https://doi.org/10.1103/physrevb.105.134406 Zobrazit plný text záznamu