Effect of deformation on the electronic structure and topological properties of the AIIMg2Bi2 (AII = Mg,Ca,Sr,Ba) compounds


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The electronic structure and topological properties of the AIIMg2Bi2 (AII = Mg,Ca,Sr,Ba) compounds are theoretically studied with the use of exact exchange. It is found that the Mg3Bi2 compound in the equilibrium state is a semimetal, whereas three other compounds are semiconductors with a direct fundamental band gap. It is predicted that the uniaxial deformation of three-component compounds results in transitions to topologically nontrivial phases: topological insulator and topological and Dirac semimetals. Owing to such a rich variety of topologically nontrivial phases, these compounds may be of interest for further theoretical and experimental studies.

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E. Petrov

Tomsk State University; St. Petersburg State University

编辑信件的主要联系方式.
Email: eg901petrov@gmail.com
俄罗斯联邦, pr. Lenina 36, Tomsk, 634050; St. Petersburg, 199034

I. Silkin

Tomsk State University

Email: eg901petrov@gmail.com
俄罗斯联邦, pr. Lenina 36, Tomsk, 634050

Yu. Koroteev

Tomsk State University; Institute of Strength Physics and Materials Science, Siberian Branch; St. Petersburg State University

Email: eg901petrov@gmail.com
俄罗斯联邦, pr. Lenina 36, Tomsk, 634050; Tomsk, 634021; St. Petersburg, 199034

E. Chulkov

Tomsk State University; St. Petersburg State University; Centro de Física de Materiales (CFM)-Materials Physics Center (MPC); Departamento de Física de Materiales, Facultad de Ciencias Químicas

Email: eg901petrov@gmail.com
俄罗斯联邦, pr. Lenina 36, Tomsk, 634050; St. Petersburg, 199034; San Sebastián/Donostia, Basque Country, 20018; Apdo. 1072, Sebastián/Donostia, Basque Country, 20080

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