Semiconductor Physics, Quantum Electronics & Optoelectronics, 21 (4), P. 345-359 (2018).
DOI: https://doi.org/10.15407/spqeo21.04.345
Influence of intrinsic point defects and substitutional impurities
(Cl, I-S) on the electronic structure of 2H-SnS2
D.I. Bletskan, V.V. Frolova
E-mail: crystal_lab457@yahoo.com
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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