QUANTUM-CHEMICAL CALCULATION OF Si2MnS IN THE MATRIX OF SILICON
Model of Si2MnS (hypothetical) structure similar to the cubic structure of F43m-β-MnS has been proposed and quantummechanically calculated. Eg 0.22 eV energy gap of the Si2MnS structure obtained in the course of quantum chemical numerical calculation of position of elektrons and the level Ei 0.226 eV revealed during the study of the photoconductivity of the Si<Mn, S> sample, were compared. Further thorough theoretical studies, detailed quantum chemical calculations and experiments in the field of engineering a novel class of hybrid compounds with a cubic lattice of diamond type with the participation of elements of groups IV/III-V and IV/II-VI, could help predict new structures
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