Using density functional theory, we propose the (MnSb2Te4)center dot(Sb2Te3)(n) family of stoichiometric van der Waals compounds that harbor multiple topologically nontrivial magnetic phases. In the ground state, the first three members of the family (n = 0, 1, 2) are 3D antiferromagnetic topological insulators, while for n >= 3 a special phase is formed, in which a nontrivial topological order coexists with a partial magnetic disorder in the system of the decoupled 2D ferromagnets, whose magnetizations point randomly along the third direction. Furthermore, due to a weak interlayer exchange coupling, these materials can be field-driven into the FM Weyl semimetal (n = 0) or FM axion insulator states (n >= 1). Finally, in two dimensions, we reveal these systems to show intrinsic quantum anomalous Hall and AFM axion insulator states, as well as quantum Hall state, achieved under external magnetic field. Our results demonstrate that MnSb2Te4 is not topologically trivial as was previously believed that opens possibilities of realization of a wealth of topologically nontrivial states in the (MnSb2Te4)center dot(Sb2Te3)(n) family.

Original languageEnglish
Pages (from-to)4268-4277
Number of pages10
JournalJournal of Physical Chemistry Letters
Volume12
Issue number17
DOIs
StatePublished - 6 May 2021

    Research areas

  • GAP

    Scopus subject areas

  • Materials Science(all)
  • Physical and Theoretical Chemistry

ID: 88189499