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Electronic and magnetic properties of layered M3Si2Te6 (M = alkaline earth and transition metals)
Li, Bowen1; Bai, Haoyun1; Yu, Zhichao1; Li, Yutong2; Kwok, Chi Tat2; Feng, Wenlin3; Wang, Shuangpeng1; Ng, Kar Wei1
2023-11-09
Source PublicationJournal of Physics Condensed Matter
ISSN0953-8984
Volume36Issue:6Pages:065801
Abstract

Recently, a new layered material, MnSiTe, was identified to be a semiconductor with nodal-line topological property and ferrimagnetic ground state. In this work, we propose a series of structures, MSiTe (M = alkaline earth and transition metals), and systematically investigate their mechanical, magnetic and electronic properties, and the strain effect to enrich the family of the layered materials for practical applications. We find 13 stable MSiTe, including 5 semiconductors (M = Ca, Sr, Fe, Ru and Os) and 8 metals (M = Sc, Ti, Nb, Ta, Cr, Mo, W and Tc). Two structures (M = Ti and Cr) are antiferromagnetic (AFM), while other structures are non-magnetic (NM). Similar to MnSiTe, the AFM structures exhibit magnetic anisotropy energies (MAEs) and semiconductors have anisotropic electron effective masses. We further show that compressions along the z-axis can effectively tune the electronic and magnetic properties, such as the semiconductor-metal and NM-AFM transition in FeSiTe, the two-fold degeneracy of the valence band maximums in SrSiTe, as well as the reduced MAE for all magnetic structures. These results demonstrate the diverse properties of the layered MSiTe family and provide promising theoretical predictions for the future design of new layered materials.

KeywordAnisotropy First-principles Layered Structures
DOI10.1088/1361-648X/ad0190
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaPhysics
WOS SubjectPhysics, Condensed Matter
WOS IDWOS:001103107100001
PublisherIOP Publishing LtdTEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND
Scopus ID2-s2.0-85177495653
Fulltext Access
Citation statistics
Document TypeJournal article
CollectionDEPARTMENT OF ELECTROMECHANICAL ENGINEERING
University of Macau
INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding AuthorNg, Kar Wei
Affiliation1.Institute of Applied Physics and Materials Engineering, University of Macau, 999078, Macao
2.Department of Electromechanical Engineering, Faculty of Science and Technology, University of Macau, 999078, Macao
3.School of Electrical and Electronic Engineering, Chongqing University of Technology, Chongqing, 400054, China
First Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Corresponding Author AffilicationINSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING
Recommended Citation
GB/T 7714
Li, Bowen,Bai, Haoyun,Yu, Zhichao,et al. Electronic and magnetic properties of layered M3Si2Te6 (M = alkaline earth and transition metals)[J]. Journal of Physics Condensed Matter, 2023, 36(6), 065801.
APA Li, Bowen., Bai, Haoyun., Yu, Zhichao., Li, Yutong., Kwok, Chi Tat., Feng, Wenlin., Wang, Shuangpeng., & Ng, Kar Wei (2023). Electronic and magnetic properties of layered M3Si2Te6 (M = alkaline earth and transition metals). Journal of Physics Condensed Matter, 36(6), 065801.
MLA Li, Bowen,et al."Electronic and magnetic properties of layered M3Si2Te6 (M = alkaline earth and transition metals)".Journal of Physics Condensed Matter 36.6(2023):065801.
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