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@article{0faaafaa9b8b4b8cae6a0befddab6e76,
title = "Routes for the topological surface state energy gap modulation in antiferromagnetic MnBi2Te4",
abstract = "We have analyzed different factors responsible for changes in the Dirac gap in MnBi 2Te 4 and the routes that determine the possibilities of the purposeful gap modulation. It was shown that upon changing the surface van der Waals interval and surface spin–orbit coupling strength the topological surface states localization shifts between the surface septuple layers with opposite magnetizations, which leads to a nonmonotonic change in the Dirac gap size. The minimum in the Dirac gap corresponds to the point of changing the sign of the emerging exchange field. Moreover, we have shown that the Dirac gap can be effectively modulated by replacing magnetic Mn atoms in the surface layer with nonmagnetic ones or Bi and Te atoms with atoms of elements with a lower spin–orbit coupling that makes it possible to create synthetic layered topological systems with purposeful modification of the surface properties. ",
keywords = "Antiferromagnetic topological insulator, Antisite defects, Electronic structure, Topological surface states, ab initio calculations",
author = "Шикин, {Александр Михайлович} and Макарова, {Татьяна Павловна} and Ерыженков, {Александр Владимирович} and Усачев, {Дмитрий Юрьевич} and Естюнин, {Дмитрий Алексеевич} and Глазкова, {Дарья Алексеевна} and Климовских, {Илья Игоревич} and Рыбкин, {Артем Геннадиевич} and Тарасов, {Артем Вячеславович}",
note = "Publisher Copyright: {\textcopyright} 2022 Elsevier B.V.",
year = "2023",
month = jan,
day = "15",
doi = "10.1016/j.physb.2022.414443",
language = "English",
volume = "649",
journal = "Physica B: Condensed Matter",
issn = "0921-4526",
publisher = "Elsevier",

}

RIS

TY - JOUR

T1 - Routes for the topological surface state energy gap modulation in antiferromagnetic MnBi2Te4

AU - Шикин, Александр Михайлович

AU - Макарова, Татьяна Павловна

AU - Ерыженков, Александр Владимирович

AU - Усачев, Дмитрий Юрьевич

AU - Естюнин, Дмитрий Алексеевич

AU - Глазкова, Дарья Алексеевна

AU - Климовских, Илья Игоревич

AU - Рыбкин, Артем Геннадиевич

AU - Тарасов, Артем Вячеславович

N1 - Publisher Copyright: © 2022 Elsevier B.V.

PY - 2023/1/15

Y1 - 2023/1/15

N2 - We have analyzed different factors responsible for changes in the Dirac gap in MnBi 2Te 4 and the routes that determine the possibilities of the purposeful gap modulation. It was shown that upon changing the surface van der Waals interval and surface spin–orbit coupling strength the topological surface states localization shifts between the surface septuple layers with opposite magnetizations, which leads to a nonmonotonic change in the Dirac gap size. The minimum in the Dirac gap corresponds to the point of changing the sign of the emerging exchange field. Moreover, we have shown that the Dirac gap can be effectively modulated by replacing magnetic Mn atoms in the surface layer with nonmagnetic ones or Bi and Te atoms with atoms of elements with a lower spin–orbit coupling that makes it possible to create synthetic layered topological systems with purposeful modification of the surface properties.

AB - We have analyzed different factors responsible for changes in the Dirac gap in MnBi 2Te 4 and the routes that determine the possibilities of the purposeful gap modulation. It was shown that upon changing the surface van der Waals interval and surface spin–orbit coupling strength the topological surface states localization shifts between the surface septuple layers with opposite magnetizations, which leads to a nonmonotonic change in the Dirac gap size. The minimum in the Dirac gap corresponds to the point of changing the sign of the emerging exchange field. Moreover, we have shown that the Dirac gap can be effectively modulated by replacing magnetic Mn atoms in the surface layer with nonmagnetic ones or Bi and Te atoms with atoms of elements with a lower spin–orbit coupling that makes it possible to create synthetic layered topological systems with purposeful modification of the surface properties.

KW - Antiferromagnetic topological insulator

KW - Antisite defects

KW - Electronic structure

KW - Topological surface states

KW - ab initio calculations

UR - http://www.scopus.com/inward/record.url?scp=85141261042&partnerID=8YFLogxK

UR - https://www.mendeley.com/catalogue/758a31b8-eafc-3278-9cf6-3e94d9c16d93/

U2 - 10.1016/j.physb.2022.414443

DO - 10.1016/j.physb.2022.414443

M3 - Article

VL - 649

JO - Physica B: Condensed Matter

JF - Physica B: Condensed Matter

SN - 0921-4526

M1 - 414443

ER -

ID: 100334537