Condensed Matter Physics, 2003, vol. 6, No. 2(34), p. 229-236, English
DOI:10.5488/CMP.6.2.229

Title: MANIFESTATION OF DEFORMATION EFFECT IN BAND SPECTRA IN CRYSTALS WITH INHOMOGENEOUS BONDING
Author(s): D.M.Bercha (Uzhgorod National University, 54 Voloshyn Str., 88000 Uzhgorod, Ukraine; Institute of Physics, Pedagogical University, 16a Rejtana Str., 35--310 Rzesz\'ow, Poland), K.Z.Rushchanskii (Uzhgorod National University, 54 Voloshyn Str., 88000 Uzhgorod, Ukraine), I.V.Slipukhina (Uzhgorod National University, 54 Voloshyn Str., 88000 Uzhgorod, Ukraine; E-mail:~iv@iss.univ.uzhgorod.ua), I.V.Bercha (Uzhgorod National University, 54 Voloshyn Str., 88000 Uzhgorod, Ukraine)

The effect of the shear strains on the energy spectrum of the strongly anisotropic SbSI crystal has been investigated by group-theoretical method in combination with the Pikus method of invariants. The first-principles local density approximation has been implemented to determine the band structure of the crystal. Ab initio calculations of the band structure have shown an exact localization of twofold degenerate maximum of the valence band in the T point. It turned out that the shear strains result in the band topology changes in the vicinity of the T point and the $\mathbf{k}$-linear term appears in the corresponding dispersion law.

Key words: ab initio, deformations, SbSI
PACS: 71.15.Ap, 71.15.Hx, 71.15.Mb, 61.50.Ah

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