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Structure and Bonding in Cubic IV–VI Crystals. II. Instability of the TO(Γ) Mode: Unified Universal‐Parameter Treatment of the Group‐V Semimetals and Cubic IV–VI Semiconductors
Author(s) -
Enders P.
Publication year - 1984
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.2221210103
Subject(s) - pseudopotential , cubic crystal system , instability , semiconductor , condensed matter physics , group (periodic table) , crystal (programming language) , resonance (particle physics) , materials science , quantum mechanics , physics , computer science , programming language
The inherent instability of the cubic crystal structure of group‐V semimetals and of A IV B VI semiconductors exhibiting a cubic phase is treated on equal footing using the LCAO‐based approaches by Bersuker and Vekhter and by Volkov and Pankratov. By means of the universal parameter relation for the ppσ‐resonance integral, this instability is founded without adjustable parameters. The stability of the lead chalcogenides is explained on a semi‐quantitative level. The relation to Littlewood's pseudopotential‐based work is discussed.