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Electronic Structure of 18R-SnS2 crystal

D. I. BLETSKAN1,* , V. V. FROLOVA1, K. E. GLUKHOV1

Affiliation

  1. Uzhgorod National University, Voloshyn Str. 54, 88000 Uzhgorod, Ukraine

Abstract

Calculations of energy band structure, total and partial densities of states and spatial valence charge distribution of 18R polytype of SnS2 crystal are performed in the framework of the density functional theory (DFT). It was established The 18R polytype is shown to be an indirect-gap semiconductor (with E eV theor gi = 1.18 ) and the number of its valence states is shown to be by factor of nine larger than for the 2H polytype. The experimental data on the 18R-SnS2 long-wavelength absorption edge studies are explained based on the energy band structure calculations and optical selection rules. The interlayer interaction in the 18R polytype was found to increase in comparison with the 2H polytype..

Keywords

Tin disulphide, polytypism, electronic band structure, density of states, selection rules, optical gap..

Submitted at: Nov. 10, 2010
Accepted at: Nov. 19, 2010

Citation

D. I. BLETSKAN, V. V. FROLOVA, K. E. GLUKHOV, Electronic Structure of 18R-SnS2 crystal, Journal of Optoelectronics and Advanced Materials Vol. 12, Iss. 11, pp. 2236-2241 (2010)