This article is cited in 7 papers

CONDENSED MATTER

Effect of deformation on the electronic structure and topological properties of the $\mathrm{A^{II}Mg_2Bi_2 \: (A^{II}= Mg, Ca, Sr, Ba)}$ compounds

E. K. Petrov^ab, I. V. Silkin^a, Yu. M. Koroteev^acb, E. V. Chulkov<sup>adbe

a</sup> Tomsk State University, Tomsk, Russia
^b St. Petersburg State University, St. Petersburg, Russia
^c Institute of Strength Physics and Materials Science, Siberian Branch, Russian Academy of Sciences, Tomsk, Russia
^d Departamento de Física de Materiales, Facultad de Ciencias Químicas, Universidad del País Vasco, Sebastián/Donostia, Basque Country, Spain
^e Centro de Física de Materiales (CFM)-Materials Physics Center (MPC), Centro Mixto CSIC–UPV/EHU, San Sebastián/Donostia, Basque Country, Spain

Abstract: The electronic structure and topological properties of the $\mathrm{A^{II}Mg_2Bi_2 \: (A^{II}= Mg, Ca, Sr, Ba)}$ compounds are theoretically studied with the use of exact exchange. It is found that the $\mathrm{Mg_3Bi_2}$ 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.

Received: 26.01.2017
Revised: 22.03.2017

DOI: 10.7868/S0370274X17080069

 English version: Journal of Experimental and Theoretical Physics Letters, 2017, 105:8, 502–507

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