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

Overview

Journal Nanomaterials (Basel)

Date 2023 Jan 8

PMID 36615948

Authors

Alexandra Yu Vyazovskaya

Evgeniy K Petrov

Yury M Koroteev

Mihovil Bosnar

Igor V Silkin

Evgueni V Chulkov

Mikhail M Otrokov

Affiliations

Soon will be listed here.

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 compounds, known to be non-magnetic 3D TIs. Our results suggest a new approach for achieving 3D magnetic TI phases in such superlattices which is applicable to a large family of thallium rare-earth dichalcogenides and is expected to yield a fertile and tunable playground for exotic topological physics.

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