Premium
Incompletely symmetric non‐bloch electron states in perfect cubic crystals. II. Density of states in the FCC lattice
Author(s) -
Kunert A.,
Olszewski S.,
Wierzbicki A.
Publication year - 1978
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.560140203
Subject(s) - condensed matter physics , bloch wave , lattice (music) , density of states , physics , quantum mechanics , crystal (programming language) , electron , electron density , cubic crystal system , wave function , wigner crystal , linear combination of atomic orbitals , chemistry , atomic orbital , computer science , acoustics , programming language
The electron density of both the perturbed and unperturbed crystal can be made up of individual terms described by the basis functions of irreducible representations of the crystal point group. For the perfect FCC lattice, a detailed comparison was made between the density of states, calculated in terms of the LCAO wave functions classified according to representations of the crystal point group, and the density of states, provided by the Bloch theory.