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Model of the Structural Ordering of Vacancies and the Formation of a Family of Ternary Compounds in I–III–VI Systems

MetadataDetails
Publication Date2023-12-01
JournalJournal of Surface Investigation X-ray Synchrotron and Neutron Techniques
AuthorsД. С. Мазинг, О. А. Aleksandrova, В. А. Мошников
InstitutionsSaint Petersburg State Electrotechnical University
Citations1

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.