Residential College | false |
Status | 已發表Published |
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 Publication | Journal of Physics Condensed Matter |
ISSN | 0953-8984 |
Volume | 36Issue: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. |
Keyword | Anisotropy First-principles Layered Structures |
DOI | 10.1088/1361-648X/ad0190 |
URL | View the original |
Indexed By | SCIE |
Language | 英語English |
WOS Research Area | Physics |
WOS Subject | Physics, Condensed Matter |
WOS ID | WOS:001103107100001 |
Publisher | IOP Publishing LtdTEMPLE CIRCUS, TEMPLE WAY, BRISTOL BS1 6BE, ENGLAND |
Scopus ID | 2-s2.0-85177495653 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | DEPARTMENT OF ELECTROMECHANICAL ENGINEERING University of Macau INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Corresponding Author | Ng, Kar Wei |
Affiliation | 1.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 Affilication | INSTITUTE OF APPLIED PHYSICS AND MATERIALS ENGINEERING |
Corresponding Author Affilication | INSTITUTE 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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