Premium
Energy Structure of the Alkaline‐Earth Fluorides
Author(s) -
Starostin N. V.,
Shepilov M. P.,
Alekseev A. B.
Publication year - 1981
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.2221030232
Subject(s) - fluorite , valence (chemistry) , alkaline earth metal , mineralogy , chemistry , computational chemistry , materials science , physics , alkali metal , quantum mechanics , metallurgy
The density of valence states for fluorite‐type crystals is calculated on the basis of tight‐binding (TB) and OPW methods. More precisely energy values of valence bands determined by the TB method at high‐symmetry points Γ, X, L are reported. A comparison is made with other theoretical estimates and experimental data.