Export citation

Export citation

Choose format for download:

Download Citation
  • Letter

Koopmans' theorem as the mechanism of nearly gapless surface states in self-doped magnetic topological insulators

Weizhao Chen1, Yufei Zhao1, Qiushi Yao1, Jing Zhang1, and Qihang Liu1,2,3,*

  • 1Shenzhen Institute for Quantum Science and Engineering and Department of Physics, Southern University of Science and Technology, Shenzhen 518055, China
  • 2Guangdong Provincial Key Laboratory of Computational Science and Material Design, Southern University of Science and Technology, Shenzhen 518055, China
  • 3Shenzhen Key Laboratory of Advanced Quantum Functional Materials and Devices, Southern University of Science and Technology, Shenzhen 518055, China

  • *Corresponding author: liuqh@sustech.edu.cn

Phys. Rev. B 103, L201102 – Published 3 May, 2021

DOI: https://doi.org/10.1103/PhysRevB.103.L201102

Abstract

The magnetization-induced gap at the surface state is widely believed to be the kernel of magnetic topological insulators (MTIs) because of its relevance to various topological phenomena, such as the quantum anomalous Hall effect and the axion insulator phase. However, whether the magnetic gap exists in an intrinsic MTI, such as MnBi2Te4, still remains elusive, with significant discrepancies between theoretical predictions and various experimental observations. Here, including the previously overlooked self-doping in real MTIs, we find that in general a doped MTI prefers a ground state with a gapless surface state. We use a simple model based on Koopmans' theorem to elucidate the mechanism and further demonstrate it in the self-doped MnBi2Te4/(Bi2Te3)n family through first-principles calculations. Our work sheds light on the design principles of MTIs with magnetic gaps by revealing the critical role of doping effects in understanding the delicate interplay between magnetism and topology.

Physics Subject Headings (PhySH)

Authorization Required

We need you to provide your credentials before accessing this content.

Supplemental Material (Subscription Required)

References (Subscription Required)

Outline

Information

Sign In to Your Journals Account

Filter

Filter

Article Lookup

Enter a citation