Prediction of ferromagnetic Weyl semimetal and antiferromagnetic topological insulator phases in MnHg2Te3

Qi Wang, Keer Huang, Wu Zhao, Lei Li, Xuewen Wang

科研成果: 期刊稿件文章同行评审

1 引用 (Scopus)

摘要

Based on first-principles band-structure calculations, we predict that FM MnHg2Te3 is a Weyl semimetal candidate. When the direction of spin polarization is toward the c-axis, there are six Weyl points in the whole Brillouin zone. With spin orientation along the a-axis, there exist eight Weyl points. For AFM MnHg2Te3, when the spin direction is along the c-axis, the band structure is fully gapped. The calculation of the Z2 number confirms that AFM-c MnHg2Te3 is a 3D AFM topological insulator. Adjusting the spin direction from the c-axis to the a-axis only changes the bandgap without affecting the topological properties of this system. The gapless surface-state on the (100) surface is also obtained, the results of which correspond with the properties of the AFM topological insulator.

源语言英语
文章编号203102
期刊Applied Physics Letters
121
20
DOI
出版状态已出版 - 14 11月 2022

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