Topological Crystalline Insulator Phases in Magnetic van der Waals Crystal MnBi4Te7 and Mn2Bi2Te5 Families

IF 4.3 3区材料科学 Q1 ENGINEERING, ELECTRICAL & ELECTRONIC

ACS Applied Electronic Materials Pub Date : 2024-11-13 DOI:10.1021/acs.jpcc.4c05870

Jia-Yi Lin, Zhipeng Cao, Zhong-Jia Chen, Wenxin He, Jiarui Zeng, Xiao-Bao Yang, Yichen Hua, Ji-Hai Liao, Yu-Jun Zhao

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Abstract

In the past several years, the discoveries of multiple magnetic topological phases in MnBi₂Te₄ and its analogues have highlighted the research in modern condensed matter physics. The topological crystalline insulator (TCI) phase protected by space group symmetry is a valuable platform to understand the profound relation of crystalline symmetry and band topology in materials. Via first-principles calculations, we predict that the MnBi₂Te₄ analogues, MnBi₄Te₇, MnSb₄Te₇, Mn₂Bi₂Te₅, and Eu₂Bi₂Te₅, are all mirror-symmetry-protected TCI candidates when magnetized along the in-plane x orientation. Gapless surface states are expected for the van der Waals terminations in this phase. Particularly, the magnetic easy axis of Eu₂Bi₂Te₅ is along the in-plane direction in our calculations. These findings open opportunities for research and application of magnetic TCIs and magnetically controllable topological quantum phase transitions.

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磁性范德华晶体 MnBi4Te7 和 Mn2Bi2Te5 家族中的拓扑晶体绝缘体相位

在过去几年中，MnBi2Te4 及其类似物中多种磁性拓扑相的发现凸显了现代凝聚态物理学的研究重点。受空间群对称性保护的拓扑晶体绝缘体（TCI）相是理解材料中晶体对称性与能带拓扑之间深刻关系的宝贵平台。通过第一原理计算，我们预测 MnBi2Te4 类似物 MnBi4Te7、MnSb4Te7、Mn2Bi2Te5 和 Eu2Bi2Te5 在沿平面内 x 方向磁化时都是受镜像对称保护的 TCI 候选物。预计该相中的范德华端点会出现无间隙表面态。特别是，在我们的计算中，Eu2Bi2Te5 的磁易轴是沿平面内方向的。这些发现为磁性 TCIs 和磁可控拓扑量子相变的研究和应用提供了机会。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

ACS Applied Electronic Materials Multiple-

CiteScore

7.20

自引率

4.30%

发文量

567