中国物理B ›› 2023, Vol. 32 ›› Issue (8): 87506-087506.doi: 10.1088/1674-1056/acd522

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Magnetic and electronic properties of bulk and two-dimensional FeBi2Te4: A first-principles study

Qianqian Wang(王倩倩)1, Jianzhou Zhao(赵建洲)2,1,†, Weikang Wu(吴维康)3,1,‡, Yinning Zhou(周胤宁)4, Qile Li5,6, Mark T. Edmonds5,6, and Shengyuan A. Yang(杨声远)1   

  1. 1. Research Laboratory for Quantum Materials, Singapore University of Technology and Design, Singapore 487372, Singapore;
    2. Co-Innovation Center for New Energetic Materials, Southwest University of Science and Technology, Mianyang 621010, China;
    3. Key Laboratory for Liquid--Solid Structural Evolution and Processing of Materials(Ministry of Education), Shandong University, Jinan 250061, China;
    4. Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics Materials Engineering, University of Macau, Macau Special Administrative Region, China;
    5. School of Physics and Astronomy, Monash University, Clayton, VIC 3800, Australia;
    6. ARC Centre for Future Low Energy Electronics Technologies, Monash University, Clayton, VIC 3800, Australia
  • 收稿日期:2023-02-06 修回日期:2023-05-10 接受日期:2023-05-12 发布日期:2023-07-24
  • 通讯作者: Jianzhou Zhao, Weikang Wu E-mail:jzzhao@swust.edu.cn;weikang_wu@sdu.edu.cn
  • 基金资助:
    We acknowledge the funding support from the Singapore MOE AcRF 308 Tier 2 (Grant No.T2EP50220-0026). W. Wu acknowledges the funding support from Shandong Provincial Natural Science Foundation (Grant No.ZR2023QA012), and the Special Funding in the Project of Qilu Young Scholar Program of Shandong University. M. T. Edmonds acknowledges the funding support from Australian Research Council Future Fellowship (Grant No.FT220100290). Q. Li acknowledges the funding support from the AINSE postgraduate award. Y. Zhou acknowledges the funding support from the Research and Development Administration Office at the University of Macau (Grants Nos.MYRG2022-00088-IAPME and SRG2021-00003-IAPME).

Magnetic and electronic properties of bulk and two-dimensional FeBi2Te4: A first-principles study

Qianqian Wang(王倩倩)1, Jianzhou Zhao(赵建洲)2,1,†, Weikang Wu(吴维康)3,1,‡, Yinning Zhou(周胤宁)4, Qile Li5,6, Mark T. Edmonds5,6, and Shengyuan A. Yang(杨声远)1   

  1. 1. Research Laboratory for Quantum Materials, Singapore University of Technology and Design, Singapore 487372, Singapore;
    2. Co-Innovation Center for New Energetic Materials, Southwest University of Science and Technology, Mianyang 621010, China;
    3. Key Laboratory for Liquid--Solid Structural Evolution and Processing of Materials(Ministry of Education), Shandong University, Jinan 250061, China;
    4. Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics Materials Engineering, University of Macau, Macau Special Administrative Region, China;
    5. School of Physics and Astronomy, Monash University, Clayton, VIC 3800, Australia;
    6. ARC Centre for Future Low Energy Electronics Technologies, Monash University, Clayton, VIC 3800, Australia
  • Received:2023-02-06 Revised:2023-05-10 Accepted:2023-05-12 Published:2023-07-24
  • Contact: Jianzhou Zhao, Weikang Wu E-mail:jzzhao@swust.edu.cn;weikang_wu@sdu.edu.cn
  • Supported by:
    We acknowledge the funding support from the Singapore MOE AcRF 308 Tier 2 (Grant No.T2EP50220-0026). W. Wu acknowledges the funding support from Shandong Provincial Natural Science Foundation (Grant No.ZR2023QA012), and the Special Funding in the Project of Qilu Young Scholar Program of Shandong University. M. T. Edmonds acknowledges the funding support from Australian Research Council Future Fellowship (Grant No.FT220100290). Q. Li acknowledges the funding support from the AINSE postgraduate award. Y. Zhou acknowledges the funding support from the Research and Development Administration Office at the University of Macau (Grants Nos.MYRG2022-00088-IAPME and SRG2021-00003-IAPME).

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摘要： Layered magnetic materials, such as MnBi2Te4, have drawn much attention owing to their potential for realizing two-dimensional (2D) magnetism and possible topological states. Recently, FeBi2Te4, which is isostructural to MnBi2Te4, has been synthesized in experiments, but its detailed magnetic ordering and band topology have not been clearly understood yet. Here, based on first-principles calculations, we investigate the magnetic and electronic properties of FeBi2Te4 in bulk and 2D forms. We show that different from MnBi2Te4, the magnetic ground states of bulk, single-layer, and bilayer FeBi2Te4 all favor a 120° noncollinear antiferromagnetic ordering, and they are topologically trivial narrow-gap semiconductors. For the bilayer case, we find that a quantum anomalous Hall effect with a unit Chern number is realized in the ferromagnetic state, which may be achieved in experiment by an external magnetic field or by magnetic proximity coupling. Our work clarifies the physical properties of the new material system of FeBi2Te4 and reveals it as a potential platform for studying magnetic frustration down to 2D limit as well as quantum anomalous Hall effect.

关键词: FeBi2Te4, two-dimensional (2D) magnetism, noncollinear antiferromagnet, quantum anomalous Hall effect, first-principles calculation

Abstract: Layered magnetic materials, such as MnBi2Te4, have drawn much attention owing to their potential for realizing two-dimensional (2D) magnetism and possible topological states. Recently, FeBi2Te4, which is isostructural to MnBi2Te4, has been synthesized in experiments, but its detailed magnetic ordering and band topology have not been clearly understood yet. Here, based on first-principles calculations, we investigate the magnetic and electronic properties of FeBi2Te4 in bulk and 2D forms. We show that different from MnBi2Te4, the magnetic ground states of bulk, single-layer, and bilayer FeBi2Te4 all favor a 120° noncollinear antiferromagnetic ordering, and they are topologically trivial narrow-gap semiconductors. For the bilayer case, we find that a quantum anomalous Hall effect with a unit Chern number is realized in the ferromagnetic state, which may be achieved in experiment by an external magnetic field or by magnetic proximity coupling. Our work clarifies the physical properties of the new material system of FeBi2Te4 and reveals it as a potential platform for studying magnetic frustration down to 2D limit as well as quantum anomalous Hall effect.

Key words: FeBi2Te4, two-dimensional (2D) magnetism, noncollinear antiferromagnet, quantum anomalous Hall effect, first-principles calculation

中图分类号:  (Antiferromagnetics)

  • 75.50.Ee
73.43.-f (Quantum Hall effects) 31.15.A- (Ab initio calculations) 74.20.Pq (Electronic structure calculations)