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Molecular Cluster Approach to Magnesium and Calcium Oxide Crystals. II. F + and F Centres
Author(s) -
Ermoshkin A. N.,
Evarestov R. A.,
Kotomin E. A.
Publication year - 1976
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.2220730105
Subject(s) - crystal (programming language) , maxima , ionic crystal , ionic bonding , cluster (spacecraft) , magnesium , crystallography , calcium , absorption (acoustics) , oxide , ion , chemistry , materials science , atomic physics , physics , optics , quantum mechanics , computer science , art , performance art , art history , programming language , organic chemistry
The model of the molecular duster (MC) which has been applied for perfect MgO and CaO crystals is applied now to F + and F centres in these crystals. A method is proposed to estimate the optical transition energies within the SCCC technique. The calculated values of the absorption maxima of the F + and F centres are in reasonable agreement with experimental data. The procedure is also suggested to estimate the location of the defect levels within the forbidden gap of the perfect crystal. For comparison the analogous calculations of the ionic KCI crystal (perfect and with F centre) are given.