Superlattices of Gadolinium and Bismuth Based Thallium Dichalcogenides as Potential Magnetic Topological Insulators.

ABSTRACT: Using relativistic spin-polarized density functional theory calculations we investigate magnetism, electronic structure and topology of the ternary thallium gadolinium dichalcogenides TlGdZ2 (Z= Se and Te) as well as superlattices on their basis. We find TlGdZ2 to have an antiferromagnetic exchange coupling both within and between the Gd layers, which leads to frustration and a complex magnetic structure. The electronic structure calculations reveal both TlGdSe2 and TlGdTe2 to be topologically trivial semiconductors. However, as we show further, a three-dimensional (3D) magnetic topological insulator (TI) state can potentially be achieved by constructing superlattices of the TlGdZ2/(TlBiZ2)n type, in which structural units of TlGdZ2 are alternated with those of the isomorphic TlBiZ2 compou

SUBMITTER: Vyazovskaya AY 

PROVIDER: S-EPMC9824305 | biostudies-literature | 2022 Dec

REPOSITORIES: biostudies-literature