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Calculation of Bond Parameters and of Nonlinear Optical Susceptiabilities in Quartz‐Homeotypic MXO 4 Crystals
Author(s) -
Engel G. F.,
Defregger S.
Publication year - 1991
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.2221630209
Subject(s) - homopolar motor , quartz , crystal (programming language) , dielectric , bond length , bond , nonlinear system , nonlinear optical , materials science , condensed matter physics , molecular physics , optics , crystallography , chemistry , physics , crystal structure , optoelectronics , quantum mechanics , composite material , computer science , magnet , programming language , finance , economics
The Phillips‐van Vechten (PV) dielectric theory extended to multibond compounds is used to calculate the homopolar and heteropolar energy gaps, the susceptibilities, and the ionicities of bonds in the quartz homeotypic crystals MPO 4 (M = Al, Ga, and Fe) and MAsO 4 (M = Al and Ga). Based on these results, a bond charge calculation of nonlinear optical susceptibilities is performed. Trends within the MXO 4 crystal class including SiO 2 and GeO 2 are discussed.