Open AccessA COMPLEX MODEL FOR THE HYDROGENATED VACANCY IN CRYSTALLINE SILICON
Author(s) -
Dai Griffiths,
Dandan Guan,
Deng Cong-Hao
Publication year - 1986
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.35.709
Subject(s) - cndo/2 , vacancy defect , hydride , silicon , materials science , crystalline silicon , symmetry (geometry) , atomic physics , condensed matter physics , physics , molecule , quantum mechanics , geometry , metallurgy , metal , mathematics
The electronic energies of hydrogenated silicon vacancy which has Td symmetry are calculated. Using the method of completely neglecting of differential overlap (CNDO), we find the probability of the formation of the hydride quartet, and the effect of interaction between four SiH units in the model. We conclude that the hydride quartet complex is a more plausible model for the hydrogenated vacancy in crystalline silicon than that with four SiH bonds unrelated one another.