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Theory of Twofold Coordinated Silicon and Germanium Atoms in Solid Silicon Dioxide
Author(s) -
Sokolov V. O.,
Sulimov V. B.
Publication year - 1994
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.2221860115
Subject(s) - silicon , germanium , silicon dioxide , oxygen , materials science , absorption (acoustics) , cluster (spacecraft) , mndo , oxygen atom , atomic physics , chemistry , optoelectronics , molecule , physics , organic chemistry , metallurgy , computer science , composite material , programming language
Computer simulation of twofold coordinated silicon and germanium atoms in solid silicon dioxide is performed in a cluster approach with various boundary conditions with the help of the quantumchemical MO method MNDO. Optical absorption and luminescence in the twofold coordinated atoms are found to disagree with those of oxygen‐deficient centres in solid silicon dioxide. It is concluded that the twofold coordinated atoms are no good models of oxygen‐deficient centres.