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.
Citation:
E. K. Petrov, I. V. Silkin, Yu. M. Koroteev, E. V. Chulkov, “Effect of deformation on the electronic structure and topological properties of the AIIMg2Bi2(AII=Mg,Ca,Sr,Ba) compounds”, Pis'ma v Zh. Èksper. Teoret. Fiz., 105:8 (2017), 491–496; JETP Letters, 105:8 (2017), 502–507
\Bibitem{PetSilKor17}
\by E.~K.~Petrov, I.~V.~Silkin, Yu.~M.~Koroteev, E.~V.~Chulkov
\paper 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
\jour Pis'ma v Zh. \`Eksper. Teoret. Fiz.
\yr 2017
\vol 105
\issue 8
\pages 491--496
\mathnet{http://mi.mathnet.ru/jetpl5244}
\crossref{https://doi.org/10.7868/S0370274X17080069}
\elib{https://elibrary.ru/item.asp?id=28968778}
\transl
\jour JETP Letters
\yr 2017
\vol 105
\issue 8
\pages 502--507
\crossref{https://doi.org/10.1134/S0021364017080124}
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Linking options:
https://www.mathnet.ru/eng/jetpl5244
https://www.mathnet.ru/eng/jetpl/v105/i8/p491
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