Semiconductor Physics, Quantum Electronics & Optoelectronics, 21 (4), P. 345-359 (2018).

Influence of intrinsic point defects and substitutional impurities (Cl, I-S) on the electronic structure of 2H-SnS2
D.I. Bletskan, V.V. Frolova

Uzhhorod National University, 54, Voloshin Str., 88000 Uzhhorod, Ukraine

Abstract. It was performed the systematic investigation of chemical modification regularities of electronic structure at the composition changes of “ideal” 2H-SnS 2 crystal by using the self-consistent density functional theory method in the supercell model. It were analyzed the phases obtained during doping the sulfur sublattice by substitutional impurity Y-S (Y = Cl, I) as well as during changing tin disulfide structure due to the appearance of atomic vacancies in cation and anion sublattices (non-stoichiometry effects).

Keywords: tin disulfide, electronic structure, density of states, intrinsic and extrinsic point defects, photoconductivity.

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