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• W2028045120 abstract "The electronic structures of the γ-Ln2S3Ln=La, Ce, Pr, and Nd) light rare earth sulfides are studied by means of theab initioself consistent LMTO-ASA method in the tight-binding representation. Results show that the valence and the conduction bands are mainly S 3pandLn5din character, respectively, with the 4flevels in the electronic gap. A thorough analysis of the band energies and of the hybridizations leads to an interpretation of the compounds optical absorption edges, perfectly coherent with the experimental results. The influence of an alkali and alkaline earth metal insertion/substitution is discussed, and the effect on the band structure of a metal and/or sulfur nonstoichiometry is analysed." @default.
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• W2028045120 date "1997-02-01" @default.
• W2028045120 modified "2023-09-30" @default.
• W2028045120 title "Band Electronic Structure Study of Some Doped and Undoped γ-Ln2S3(Ln=La, Ce, Pr, and Nd) Rare Earth Sulfides through LMTO-TB Calculations" @default.
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• W2028045120 doi "https://doi.org/10.1006/jssc.1996.7185" @default.
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