najoNanosystems: Physics, Chemistry, MathematicsНаносистемы: физика, химия, математика2220-80542305-7971Университет ИТМО10.17586/2220-8054-2025-16-4-467-471najo-1446Research ArticlePHYSICSФИЗИКАSurface electronic structure of TbIr2Si2 antiferromagnetПоверхностная электронная структура антиферромагнетика TbIr2Si2ПерминоваД. А.PerminovaD. A.

634055 Tomsk, Russia 

homyak.22.07.1999@mail.ruШвецИ. А.ShvetsI. A.

199034 St. Petersburg, Russia 

shvets_ia@mail.ruhttps://orcid.org/0000-0003-0390-0007УсачевД. Ю.UsachovD. Yu.

199034 St. Petersburg, Russia 

dmitry.usachov@spbu.ruВялыхД. В.VyalykhD. V.

199034 St. Petersburg, Russia 

denis.vyalikh@gmail.comhttps://orcid.org/0000-0002-9477-3017ЕремеевС. В.EremeevS. V.

634055 Tomsk, Russia

199034 St. Petersburg, Russia 

eremeev@ispms.ruInstitute of Strength Physics and Materials Science, Russian Academy of SciencesRussian FederationSt. Petersburg State UniversityRussian FederationSt. Petersburg State University,Russian FederationInstitute of Strength Physics and Materials Science, Russian Academy of Sciences; St. Petersburg State UniversityRussian Federation202503092025164467471Copyright © Perminova D.A., Shvets I.A., Usachov D.Y., Vyalykh D.V., Eremeev S.V., 20252025Перминова Д.А., Швец И.А., Усачев Д.Ю., Вялых Д.В., Еремеев С.В.Perminova D.A., Shvets I.A., Usachov D.Y., Vyalykh D.V., Eremeev S.V.Данная работа распространяется под лицензией Creative Commons Attribution 4.0.This work is licensed under a Creative Commons Attribution 4.0 License.https://nanojournal.ifmo.ru/jour/article/view/1446

By means of ab initio density functional theory (DFT) calculations, we examined the surface electronic structure of the TbIr2Si2 antiferromagnet, which is distinguished by the out-of-plane alignment of Tb 4f moments and a high Neel temperature. We analyzed the interplay between the spin-orbit and exchange in- ´ teractions and their effect on the dispersion of surface states resided in the projected band gap around the M¯ point of the surface Brillouin zone, and compared our theoretical findings with low-temperature angle-resolved photoemission spectroscopy (ARPES) measurements.

С помощью ab initio расчетов в рамках теории функционала плотности (DFT) мы изучили поверхностную электронную структуру антиферромагнетика TbIr2Si2, который характеризуется ориентацией магнитных моментов Tb 4f перпендикулярно плоскости магнитных атомов и высокой температурой Нееля. Мы проанализировали взаимодействие между спин-орбитальными и обменными взаимодействиями и их влияние на дисперсию поверхностных состояний, находящихся в проецируемой запрещенной зоне вблизи точки M поверхностной зоны Бриллюэна, и сравнили результаты расчётов с низкотемпературными измерениями фотоэлектронной спектроскопии с угловым разрешением (ARPES).

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The authors declare that there are no conflicts of interest present.