Cobalt-based magnetic Weyl semimetals with high-thermodynamic stabilities

Abstract Recent experiments identified Co3Sn2S2 as the first magnetic Weyl semimetal (MWSM). Using first-principles calculation with a global optimization approach, we explore the structural stabilities and topological electronic properties of cobalt (Co)-based shandite and alloys, Co3MM’X2 (M/M’ = ...

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Autores principales:	Wei Luo, Yuma Nakamura, Jinseon Park, Mina Yoon
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
Acceso en línea:	https://doaj.org/article/b9ff0e450df04e4fadbddc4307bb1d8e
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spelling	oai:doaj.org-article:b9ff0e450df04e4fadbddc4307bb1d8e2021-12-02T15:07:24ZCobalt-based magnetic Weyl semimetals with high-thermodynamic stabilities10.1038/s41524-020-00461-w2057-3960https://doaj.org/article/b9ff0e450df04e4fadbddc4307bb1d8e2021-01-01T00:00:00Zhttps://doi.org/10.1038/s41524-020-00461-whttps://doaj.org/toc/2057-3960Abstract Recent experiments identified Co3Sn2S2 as the first magnetic Weyl semimetal (MWSM). Using first-principles calculation with a global optimization approach, we explore the structural stabilities and topological electronic properties of cobalt (Co)-based shandite and alloys, Co3MM’X2 (M/M’ = Ge, Sn, Pb, X = S, Se, Te), and identify stable structures with different Weyl phases. Using a tight-binding model, for the first time, we reveal that the physical origin of the nodal lines of a Co-based shandite structure is the interlayer coupling between Co atoms in different Kagome layers, while the number of Weyl points and their types are mainly governed by the interaction between Co and the metal atoms, Sn, Ge, and Pb. The Co3SnPbS2 alloy exhibits two distinguished topological phases, depending on the relative positions of the Sn and Pb atoms: a three-dimensional quantum anomalous Hall metal, and a MWSM phase with anomalous Hall conductivity (~1290 Ω−1 cm−1) that is larger than that of Co2Sn2S2. Our work reveals the physical mechanism of the origination of Weyl fermions in Co-based shandite structures and proposes topological quantum states with high thermal stability.Wei LuoYuma NakamuraJinseon ParkMina YoonNature PortfolioarticleMaterials of engineering and construction. Mechanics of materialsTA401-492Computer softwareQA76.75-76.765ENnpj Computational Materials, Vol 7, Iss 1, Pp 1-8 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765
spellingShingle	Materials of engineering and construction. Mechanics of materials TA401-492 Computer software QA76.75-76.765 Wei Luo Yuma Nakamura Jinseon Park Mina Yoon Cobalt-based magnetic Weyl semimetals with high-thermodynamic stabilities
description	Abstract Recent experiments identified Co3Sn2S2 as the first magnetic Weyl semimetal (MWSM). Using first-principles calculation with a global optimization approach, we explore the structural stabilities and topological electronic properties of cobalt (Co)-based shandite and alloys, Co3MM’X2 (M/M’ = Ge, Sn, Pb, X = S, Se, Te), and identify stable structures with different Weyl phases. Using a tight-binding model, for the first time, we reveal that the physical origin of the nodal lines of a Co-based shandite structure is the interlayer coupling between Co atoms in different Kagome layers, while the number of Weyl points and their types are mainly governed by the interaction between Co and the metal atoms, Sn, Ge, and Pb. The Co3SnPbS2 alloy exhibits two distinguished topological phases, depending on the relative positions of the Sn and Pb atoms: a three-dimensional quantum anomalous Hall metal, and a MWSM phase with anomalous Hall conductivity (~1290 Ω−1 cm−1) that is larger than that of Co2Sn2S2. Our work reveals the physical mechanism of the origination of Weyl fermions in Co-based shandite structures and proposes topological quantum states with high thermal stability.
format	article
author	Wei Luo Yuma Nakamura Jinseon Park Mina Yoon
author_facet	Wei Luo Yuma Nakamura Jinseon Park Mina Yoon
author_sort	Wei Luo
title	Cobalt-based magnetic Weyl semimetals with high-thermodynamic stabilities
title_short	Cobalt-based magnetic Weyl semimetals with high-thermodynamic stabilities
title_full	Cobalt-based magnetic Weyl semimetals with high-thermodynamic stabilities
title_fullStr	Cobalt-based magnetic Weyl semimetals with high-thermodynamic stabilities
title_full_unstemmed	Cobalt-based magnetic Weyl semimetals with high-thermodynamic stabilities
title_sort	cobalt-based magnetic weyl semimetals with high-thermodynamic stabilities
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/b9ff0e450df04e4fadbddc4307bb1d8e
work_keys_str_mv	AT weiluo cobaltbasedmagneticweylsemimetalswithhighthermodynamicstabilities AT yumanakamura cobaltbasedmagneticweylsemimetalswithhighthermodynamicstabilities AT jinseonpark cobaltbasedmagneticweylsemimetalswithhighthermodynamicstabilities AT minayoon cobaltbasedmagneticweylsemimetalswithhighthermodynamicstabilities
_version_	1718388475405795328

Cobalt-based magnetic Weyl semimetals with high-thermodynamic stabilities

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