JETP Letters

, Volume 105, Issue 8, pp 502–507 | Cite as

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

  • E. K. PetrovEmail author
  • I. V. Silkin
  • Yu. M. Koroteev
  • E. V. Chulkov
Condensed Matter


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.


Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.


  1. 1.
    S. V. Eremeev, Y. M. Koroteev, and E. V. Chulkov, JETP Lett. 91, 387 (2010).ADSCrossRefGoogle Scholar
  2. 2.
    J. Henk, A. Ernst, S. V. Eremeev, E. V. Chulkov, I. V. Maznichenko, and I. Mertig, Phys. Rev. Lett. 108, 206801 (2012).ADSCrossRefGoogle Scholar
  3. 3.
    M. Z. Hasan and C. L. Kane, Rev. Mod. Phys. 82, 3045 (2010).ADSCrossRefGoogle Scholar
  4. 4.
    Z. K. Liu, B. Zhou, Y. Zhang, Z. J. Wang, H. M. Weng, D. Prabhakaran, S.-K. Mo, Z. X. Shen, Z. Fang, X. Dai, Z. Hussain, and Y. L. Chen, Science 343, 864 (2014).ADSCrossRefGoogle Scholar
  5. 5.
    S. M. Young, S. Zaheer, J. C. Y. Teo, C. L. Kane, E. J.Mele, and A. M. Rappe, Phys. Rev. Lett. 108, 140405 (2012).ADSCrossRefGoogle Scholar
  6. 6.
    S.-Y. Xu, C. Liu, S. K. Kushwaha, et al., Science 347, 294 (2015).ADSCrossRefGoogle Scholar
  7. 7.
    I. Yu. Sklyadneva, I. P. Rusinov, R. Heid, K.-P. Bohnen, P. M. Echenique, and E. V. Chulkov, Sci. Rep. 6, 24137 (2016).ADSCrossRefGoogle Scholar
  8. 8.
    H. Zhang, K. He, C.-Z. Chang, et al., Nat. Phys. 5, 438 (2009).CrossRefGoogle Scholar
  9. 9.
    I. V. Silkin, Yu. Koroteev, S. Eremeev, G. Bihlmayer, and E. Chulkov, JETP Lett. 94, 217 (2011).ADSCrossRefGoogle Scholar
  10. 10.
    Z. Wang, Y. Sun, X.-Q. Chen, C. Franchini, G. Xu, H. Weng, X. Dai, and Z. Fang, Phys. Rev. B 85, 195320 (2012).ADSCrossRefGoogle Scholar
  11. 11.
    S. Borisenko, Q. Gibson, D. Evtushinsky, V. Zabolotnyy, B. Büchner, and R. J. Cava, Phys. Rev. Lett. 113, 027603 (2014).ADSCrossRefGoogle Scholar
  12. 12.
    M. Orlita, D. M. Basko, M. S. Zholudev, F. Teppe, W. Knap, V. I. Gavrilenko, N. N. Mikhailov, S. A. Dvoretskii, P. Neugebauer, C. Faugeras, A.-L. Barra, G. Martinez, and M. Potemski, Nat. Phys. 10, 233 (2014).CrossRefGoogle Scholar
  13. 13.
    D. Hsieh, D. Qian, L. Wray, Y. Xia, Y. S. Hor, R. J. Cava, and M. Z. Hasan, Nature 452, 970 (2008).ADSCrossRefGoogle Scholar
  14. 14.
    L. B. Abdalla, E. P. José, T. M. Schmidt, R. H. Miwa, and A. Fazzio, J. Phys.: Condens. Matter 27, 255501 (2015).ADSGoogle Scholar
  15. 15.
    I. V. Silkin, Y. M. Koroteev, G. Bihlmayer, and E. V. Chulkov, Appl. Surf. Sci. 267, 169 (2013).ADSCrossRefGoogle Scholar
  16. 16.
    S.-Y. Xu, Y. Xia, L. A. Wray, S. Jia, F. Meier, J. H. Dil, J. Osterwalder, B. Slomski, A. Bansil, H. Lin, R. J. Cava, and M. Z. Hasan, Science 332, 560 (2011).ADSCrossRefGoogle Scholar
  17. 17.
    P. Barone, T. Rauch, D. D. Sante, J. Henk, I. Mertig, and S. Picozzi, Phys. Rev. B 88, 045207 (2013).ADSCrossRefGoogle Scholar
  18. 18.
    I. P. Rusinov, T. V. Menshchikova, I. Y. Sklyadneva, R. Heid, K.-P. Bohnen, and E. V. Chulkov, New J. Phys. 18, 113003 (2016).ADSCrossRefGoogle Scholar
  19. 19.
    Y. Sun, Q.-Z. Wang, S.-C. Wu, C. Felser, C.-X. Liu, and B. Yan, Phys. Rev. B 93, 205303 (2016).ADSCrossRefGoogle Scholar
  20. 20.
    Y. Zhou, D.-J. Kim, P. F. S. Rosa, et al., Phys. Rev. B 92, 241118 (2015).ADSCrossRefGoogle Scholar
  21. 21.
    G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996).CrossRefGoogle Scholar
  22. 22.
    G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1998).ADSCrossRefGoogle Scholar
  23. 23.
    J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996).ADSCrossRefGoogle Scholar
  24. 24.
    J. P. Perdew, Int. J. Quantum Chem. 28, 497 (1985).CrossRefGoogle Scholar
  25. 25.
    A. D. Becke, Phys. Rev. A 38, 3098 (1988).ADSCrossRefGoogle Scholar
  26. 26.
    J. P. Perdew, M. Ernzerhof, and K. Burke, J. Chem. Phys. 105, 9982 (1996).ADSCrossRefGoogle Scholar
  27. 27.
    J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 118, 8207 (2003).ADSCrossRefGoogle Scholar
  28. 28.
    P. J. Hasnip, K. Refson, M. I. J. Probert, J. R. Yates, S. J. Clark, and C. J. Pickard, Phil. Trans. R. Soc. A 372, 20130270 (2014).ADSCrossRefGoogle Scholar
  29. 29.
    L. G. Sevastyanova, K. P. Burdina, S. A. Kulinich, et al., Inorg. Mater. 42, 863 (2006).CrossRefGoogle Scholar
  30. 30.
    K. Deller and B. Eisenmann, Zeitschr. Naturforsch. B: Anorg. Chem., Org. Chem. 32, 612 (1977).Google Scholar
  31. 31.
    L. M. Watson, C. A. W. Marshall, and C. P. Cardoso, J. Phys. F: Met. Phys. 14, 113 (1984).ADSCrossRefGoogle Scholar
  32. 32.
    R. Xu, R. A. de Groot, and W. van der Lugt, J. Phys.: Condens. Matter 5, 7551 (1993).ADSGoogle Scholar
  33. 33.
    A. F. May, M. A. McGuire, D. J. Singh, R. Custelcean, and G. E. Jellison, Inorg. Chem. 50, 11127 (2011).CrossRefGoogle Scholar
  34. 34.
    D. Singh and D. Parker, J. Appl. Phys. 114, 143703 (2013).ADSCrossRefGoogle Scholar

Copyright information

© Pleiades Publishing, Inc. 2017

Authors and Affiliations

  • E. K. Petrov
    • 1
    • 3
    Email author
  • I. V. Silkin
    • 1
  • Yu. M. Koroteev
    • 1
    • 2
    • 3
  • E. V. Chulkov
    • 1
    • 3
    • 4
    • 5
  1. 1.Tomsk State UniversityTomskRussia
  2. 2.Institute of Strength Physics and Materials Science, Siberian BranchRussian Academy of SciencesTomskRussia
  3. 3.St. Petersburg State UniversitySt. PetersburgRussia
  4. 4.Centro de Física de Materiales (CFM)-Materials Physics Center (MPC)Centro Mixto CSIC–UPV/EHUSan Sebastián/Donostia, Basque CountrySpain
  5. 5.Departamento de Física de Materiales, Facultad de Ciencias QuímicasUniversidad del País VascoSebastián/Donostia, Basque CountrySpain

Personalised recommendations