351. Topological surface states of MnBi2Te4 at finite temperatures and at domain walls
- Author
-
Francesca Tavazza, Kevin F. Garrity, and Sugata Chowdhury
- Subjects
Materials science ,Physics and Astronomy (miscellaneous) ,Magnetic domain ,Weyl semimetal ,02 engineering and technology ,Electronic structure ,021001 nanoscience & nanotechnology ,Topology ,Coupling (probability) ,01 natural sciences ,Domain wall (magnetism) ,0103 physical sciences ,Domain (ring theory) ,General Materials Science ,010306 general physics ,0210 nano-technology ,Spin-½ ,Surface states - Abstract
$\mathrm{Mn}{\mathrm{Bi}}_{2}{\mathrm{Te}}_{4}$ has recently been the subject of intensive study, due to the prediction of axion insulator, Weyl semimetal, and quantum anomalous Hall insulator phases, depending on the structure and magnetic ordering. Experimental results have confirmed some aspects of this picture, but several experiments have seen zero-gap surfaces states at low temperature, in conflict with expectations. In this work, we develop a first-principles-based tight-binding model that allows for arbitrary control of the local spin direction and spin-orbit coupling, enabling us to accurately treat large unit-cells. Using this model, we examine the behavior of the topological surface state as a function of temperature, finding a gap closure only above the N\'eel temperature. In addition, we examine the effect of magnetic domains on the electronic structure, and we find that the domain wall zero-gap states extend over many unit-cells. These domain wall states can appear similar to the high-temperature topological surface state when many domain sizes are averaged, potentially reconciling theoretical results with experiments.
- Published
- 2021