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Some Applications of the Bond Orbital Model
Author(s) -
Ciraci S.,
Tiller W. A.
Publication year - 1974
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.2220650231
Subject(s) - bond energy , vacancy defect , band gap , polarity (international relations) , semiconductor , orbital overlap , materials science , chemistry , bond , condensed matter physics , chemical physics , molecular physics , molecular orbital , physics , crystallography , molecule , organic chemistry , biochemistry , optoelectronics , finance , economics , cell
The ‘bond orbital’ model, which is based on the tight‐binding approximation, is summarized and utilized to calculate the cohesive energy of tetrahedrally coordinated solids. Several physical properties of such semiconductors are successfuly correlated with the bonding energy of the bond‐orbital. These are the band gap, the melting temperature, and the vacancy formation energy. In addition, the hardness is found to vary linearly with polarity.