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Irremovable Mn-Bi Site Mixing in MnBi

Xi Wu1,2, Chao Ruan1, Peizhe Tang3,4

  • 1Shenzhen Geim Graphene Center and Institute of Materials Research, Shenzhen International Graduate School, Tsinghua University, Shenzhen 518055, People's Republic of China.

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|June 5, 2023
PubMed
Summary
This summary is machine-generated.

Antiferromagnetic topological insulator MnBi2Te4 exhibits defects like MnBi and BiMn, hindering large-gap surface states. Complete defect elimination via annealing is difficult, impacting topological properties.

Keywords:
Dirac point-related bandsMnBi2Te4antisite defectinterlayer exchangekinetic barrier

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Area of Science:

  • Condensed Matter Physics
  • Materials Science
  • Quantum Materials

Background:

  • MnBi2Te4 is an antiferromagnetic topological insulator with theoretically predicted gapped surface states.
  • Experimental observations show smaller or gapless surface states, attributed to defects.

Purpose of the Study:

  • Identify dominant defects in MnBi2Te4.
  • Investigate defect evolution during phase transition.
  • Explain the discrepancy between theoretical and experimental surface states.

Main Methods:

  • Theoretical identification of antisite MnBi and BiMn defects.
  • Analysis of defect evolution during MnTe/Bi2Te3 to MnBi2Te4 phase transition.
  • Modeling the impact of defect concentration on surface state band gaps.

Main Results:

  • Antisite MnBi and BiMn identified as dominant defects.
  • Complete elimination of these defects by annealing is kinetically hindered.
  • Increasing defect concentration closes the band gap of surface states.

Conclusions:

  • Defects significantly impact the topological properties of MnBi2Te4.
  • The presence of MnBi and BiMn defects explains the absence of large-gap surface states experimentally.
  • Provides theoretical insights for synthesizing high-quality MnBi2Te4.