Development of Model Representations of Materials with Ordered Distribution of Vacancies

This paper presents an overview of research results on the physical and technological features of crystal formation with an ordered distribution of vacancies. It is noted that the composition and properties of complex chalcogenide phases are not always described by the traditional concepts behind Kroeger’s theory. Model concepts are considered in which the carriers of properties in the crystalline state are not molecules, but an elementary crystalline element with a given arrangement of nodes with atoms and vacancies. It is established that the introduction of the term “quasi-element atom” of the zero group for a vacancy allows us to predict a number of compounds with an ordered distribution of vacancies. Examples of the analysis of peritectic multicomponent compounds and solid solutions based on them are given. Quasi-crystalline concepts are applicable to perovskite materials used in solar cells. It is shown that the photoluminescence of perovskite lead-cesium halides is determined by crystalline structural subunits i.e., the anionic octets. This is the reason for the improvement in the luminescent properties of colloidal quantum CsPbBr3 dots under radiation exposure conditions.