Superlattices of gadolinium and bismuth based thallium dichalcogenides as potential magnetic topological insulators

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Superlattices of gadolinium and bismuth based thallium dichalcogenides as potential magnetic topological insulators	6 MB	Adobe Acrobat PDF	Read	Download
DOI Доступ к ресурсу на сайте издателя			10.3390/nano13010038

Title: Superlattices of gadolinium and bismuth based thallium dichalcogenides as potential magnetic topological insulators
Creator: Vyazovskaya, Alexandra Yu.
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Petrov, Evgeny K.
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Koroteev, Yury M.
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Bosnar, Mihovil
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Silkin, Igor V.
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Chulkov, Evgueni V.
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Otrokov, Mikhail M.
Date: 2023
DOI: 10.3390/nano13010038
Description: 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.