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Analytic Expression for the Electronic Charge Density Distribution in Diamond‐Structure Crystals
Author(s) -
Chadi D. J.,
Cohen M. L.
Publication year - 1974
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.2220620124
Subject(s) - brillouin zone , charge density , diamond , condensed matter physics , valence (chemistry) , electronic band structure , charge (physics) , lattice (music) , lattice constant , electronic structure , elementary charge , materials science , molecular physics , chemistry , physics , quantum mechanics , electron , diffraction , acoustics , composite material
The explicit dependence of the valence band electronic charge density distribution on the pseudo‐potential form factors for the diamond structure crystals has been obtained using a weighted sum of the charge densities at the symmetry points Γ, X, and L of the Brillouin zone. The charge densities and energies for the bands at Γ X, and L, and their dependence on the lattice constant and pseudopotentials are also discussed.