Routes for the topological surface state energy gap modulation in antiferromagnetic MnBi2Te4

We have analyzed different factors responsible for changes in the Dirac gap in MnBi2Te4 and the routes that determine the possibilities of the purposeful gap modulation. It was shown that upon changing the surface van der Waals interval and surface spin-orbit coupling strength the topological surface states localization shifts between the surface septuple layers with opposite magnetizations, which leads to a nonmonotonic change in the Dirac gap size. The minimum in the Dirac gap corresponds to the point of changing the sign of the emerging exchange field. Moreover, we have shown that the Dirac gap can be effectively modulated by replacing magnetic Mn atoms in the surface layer with nonmagnetic ones or Bi and Te atoms with atoms of elements with a lower spin-orbit coupling that makes it possible to create synthetic layered topological systems with purposeful modification of the surface properties.

Automated summary

We have studied various factors affecting the changes in the Dirac gap in MnBi2Te4 and determined the routes for intentional gap modulation. It was found that by adjusting the surface van der Waals interval and surface spin-orbit coupling strength, the localization of topological surface states shifts between surface septuple layers with opposite magnetizations, resulting in a nonmonotonic change in the Dirac gap size. The Dirac gap can be effectively modulated by replacing magnetic atoms with nonmagnetic ones or by replacing Bi and Te atoms with elements with lower spin-orbit coupling, allowing for the creation of synthetic layered topological systems with purposeful modification of surface properties.