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Nature of the Forbidden Gap in Insulating AB x B′ 1 − x O 3 Crystals
Author(s) -
Raevskii I. P.,
Prosandeev S. A.,
Osipenko I. A.
Publication year - 1996
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2221980215
Subject(s) - ternary operation , materials science , divalent , electron , ion , photoconductivity , band gap , valence (chemistry) , valence band , condensed matter physics , electrical resistivity and conductivity , crystallography , chemistry , optoelectronics , physics , quantum mechanics , organic chemistry , computer science , metallurgy , programming language
The electronic structure of a wide variety of ternary AB x B′ 1−x O 3 perovskitetype insulating oxides in ordered phases has been analysed using the tight‐binding method. The cases considered me those in which A is divalent and the tetravalent B in ABO 3 is replaced by a mixture with the same total number of valence electrons. Widths of the forbidden gaps obtained prove to be much larger than in perovskites of the ABO 3 type with the same B ion. The results of the experimental electric conductivity and photoconductivity measurements are in good agreement with the computation.