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Electronic band structure of the layer‐type crystal MoS 2 (atomic model)
Author(s) -
Harper P. G.,
Edmodson D. R.
Publication year - 1971
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.2220440106
Subject(s) - brillouin zone , linear combination of atomic orbitals , conduction band , electronic band structure , crystal (programming language) , type (biology) , condensed matter physics , electronic structure , valence (chemistry) , symmetry (geometry) , electronic band , atomic physics , chemistry , atomic orbital , materials science , physics , quantum mechanics , geometry , mathematics , electron , ecology , computer science , biology , programming language
The theory is presented for the electronic band structure of the dichalcogenide layer‐type crystal MoS 2 in its 2H form. Group theory is used to treat an LCAO model based on s, p, d Mo atomic states, and s, p S atomic states. Hybridised spin‐orbit bands are examined along the Δ‐axis, and at the M‐ and K‐points in the Brillouin zone. A simple choice is proposed for the valence and conduction band Δ‐axis symmetry types.