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Many-body effects on the width of the band gap in Bi2Te2X (X = Te, Se, S) topological insulators

AuthorsRusinov, Igor P.; Nechaev, I. A.; Chulkov, Eugene V.
Issue Date2013
CitationJETP Letters 98(7): 397-402 (2013)
AbstractThe spectrum of quasiparticles of Bi2Te2X (X = Te, Se, S) three-dimensional topological insulators has been theoretically studied in the GW approximation with the inclusion of the spin-orbit interaction in the construction of the Green's function and self-energy. It has been shown that many-body corrections to the Kohn-Sham states in Bi2Te2X increase the fundamental band gap similar to conventional semiconductors. However, the band gap at the Γ point decreases in this case. Gaps in the quasiparticle spectrum obtained in agreement with the experimental data correspond to the difference between the minimum of the conduction band, which is located on the Γ-Z line, and the maximum of the valence band, which lies beyond the symmetric directions in the mirror plane.
Publisher version (URL)http://dx.doi.org/10.1134/S0021364013200125
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