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

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Abstract

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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Authors and Affiliations

  1. Tomsk State University, pr. Lenina 36, Tomsk, 634050, Russia

    E. K. Petrov, I. V. Silkin, Yu. M. Koroteev & E. V. Chulkov

  2. Institute of Strength Physics and Materials Science, Siberian Branch, Russian Academy of Sciences, Tomsk, 634021, Russia

    Yu. M. Koroteev

  3. St. Petersburg State University, St. Petersburg, 199034, Russia

    E. K. Petrov, Yu. M. Koroteev & E. V. Chulkov

  4. Centro de Física de Materiales (CFM)-Materials Physics Center (MPC), Centro Mixto CSIC–UPV/EHU, 20018, San Sebastián/Donostia, Basque Country, Spain

    E. V. Chulkov

  5. Departamento de Física de Materiales, Facultad de Ciencias Químicas, Universidad del País Vasco, Apdo. 1072, 20080, Sebastián/Donostia, Basque Country, Spain

    E. V. Chulkov

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  1. E. K. Petrov
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  2. I. V. Silkin
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  4. E. V. Chulkov
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Correspondence to E. K. Petrov.

Additional information

Original Russian Text © E.K. Petrov, I.V. Silkin, Yu.M. Koroteev, E.V. Chulkov, 2017, published in Pis’ma v Zhurnal Eksperimental’noi i Teoreticheskoi Fiziki, 2017, Vol. 105, No. 8, pp. 491–496.

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Petrov, E.K., Silkin, I.V., Koroteev, Y.M. et al. Effect of deformation on the electronic structure and topological properties of the AIIMg2Bi2 (AII = Mg,Ca,Sr,Ba) compounds. Jetp Lett. 105, 502–507 (2017). https://doi.org/10.1134/S0021364017080124

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  • DOI: https://doi.org/10.1134/S0021364017080124

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