Abstract
A characteristic feature of I—III–VI ternary chalcogenide compounds, which has a significant effect on the possibility of controlling the functional properties of materials on their base, is a strong tendency toward a deviation from stoichiometry. In this paper, we substantiate the existence of ternary semiconductor compounds with ordered vacancies in nanocrystals of the I—III–VI system using the triangulation method (Goryunova method for predicting the composition of diamond-like semiconductors). Vacancies are presented as a pseudoelement of the periodic system of the zero group assuming the formation of electrically neutral defect complexes consisting of a vacancy in the position of the group-I atom and a doubly ionized antistructural defect. In this case, the compound is considered from the standpoint of a concentration tetrahedron, and triangulation operations pass into tetrahedral operations. In the presence of such a “virtual” element, a set of ternary compounds known from publications with an ordered content of vacancies corresponding to semiconductors having four bonds per individual atom is determined instead of a single composition in the I—III–VI2 system.
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Mazing, D.S., Aleksandrova, O.A. & Moshnikov, V.A. Model of the Structural Ordering of Vacancies and the Formation of a Family of Ternary Compounds in I–III–VI Systems. J. Surf. Investig. 17, 1378–1382 (2023). https://doi.org/10.1134/S1027451023060356
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DOI: https://doi.org/10.1134/S1027451023060356