High-temperature magnetically topological candidate material Mn3Bi2Te6

Wen-Feng Wu; Xiao-Teng Huang; Han-Yu Wang; Wei-Hua Wang; Da-Yong Liu; Xiang-Long Yu; Zhi Zeng; Liang-Jian Zou

doi:10.1088/1361-648X/ad136d

High-temperature magnetically topological candidate material Mn₃Bi₂Te₆

J Phys Condens Matter. 2023 Dec 15;36(12). doi: 10.1088/1361-648X/ad136d.

Authors

Wen-Feng Wu^{1

2}, Xiao-Teng Huang^{1

2}, Han-Yu Wang^{1

2}, Wei-Hua Wang³, Da-Yong Liu⁴, Xiang-Long Yu^{5

6}, Zhi Zeng^{1

2}, Liang-Jian Zou^{1

2}

Affiliations

¹ Key Laboratory of Materials Physics, Institute of Solid State Physics, HFIPS, Chinese Academy of Sciences, Hefei 230031, People's Republic of China.
² Science Island Branch of Graduate School, University of Science and Technology of China, Hefei 230026, People's Republic of China.
³ Department of Electronic Science and Engineering, and Tianjin Key Laboratory of Photo-Electronic Thin Film Device and Technology, Nankai University, Tianjin 300071, People's Republic of China.
⁴ Department of Physics, School of Sciences, Nantong University, Nantong 226019, People's Republic of China.
⁵ Shenzhen Institute for Quantum Science and Engineering, Southern University of Science and Technology, Shenzhen 518055, People's Republic of China.
⁶ International Quantum Academy, Shenzhen 518048, People's Republic of China.

PMID: 38061072
DOI: 10.1088/1361-648X/ad136d

Abstract

The Mn-Bi-Te family displaying magnetism and non-trivial topological properties has received extensive attention. Here, we predict that the antiferromagnetic structure of Mn₃Bi₂Te₆with three MnTe layers is energetically stable and the magnetic energy difference of Mn-Mn is enhanced four times compared with that in the single MnTe layer of MnBi₂Te₄. The predicted Néel transition point is raised to 102.5 K, surpassing the temperature of liquid nitrogen. The topological properties show that with the variation of the MnTe layer from a single layer to three layers, the system transforms from a non-trivial topological phase to a trivial topological phase. Interestingly, the ferromagnetic state of Mn₃Bi₂Te₆is a topological semimetal and it exhibits a topological transition from trivial to non-trivial induced by the magnetic transition. Our results enrich the Mn-Bi-Te family system, offer a new platform for studying topological phase transitions, and pave a new way to improve the working temperature of magnetically topological devices.

Keywords: first-principles calculations; magnetism; topological phase transitions.