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The electronic structure and properties of nonmetallic rare earth monochalcogenides
Author(s) -
Anisimov F.,
Dagys R.,
Sargautis A.
Publication year - 1983
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560240502
Subject(s) - spectral line , rare earth , impurity , absorption spectroscopy , electronic structure , chemistry , condensed matter physics , materials science , physics , mineralogy , quantum mechanics , organic chemistry
The electronic structure and properties of rare earth monochalcogenides LnX (X = S, Se, and Te) have been investigated. To explain the peculiarities of long‐wave absorption spectra of nonmetallic LnX, the spectra of 4ƒ‐5 d excitations were calculated in two extreme representations. It was shown that the structure of the spectra, the positions of the bands, the almost constant red‐shift of LnX spectra as compared to one of corresponding Ln 2+ impurities, may be rather well explained in the framework of the localized electron model. The problems concerning the pecularities of the electrical properties of LnX are discussed.