TY  - SER
AU  - Vyazovskaya,Alexandra Yu
AU  - Petrov,Evgeny K.
AU  - Koroteev,Yury M.
AU  - Bosnar,Mihovil
AU  - Silkin,Igor V.
AU  - Chulkov,Evgueni V.
AU  - Otrokov,Mikhail M.
TI  - Superlattices of gadolinium and bismuth based thallium dichalcogenides as potential magnetic topological insulators
KW  - теория функционала плотности
KW  - магнитные свойства
KW  - электронная структура
KW  - топологические изоляторы
KW  - статьи в журналах
N1  - Библиогр.: 111 назв
N2  - 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
UR  - http://vital.lib.tsu.ru/vital/access/manager/Repository/koha:001009373
ER  -