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Electronic and optical properties of zinc blende and complex crystal structured solids
Author(s) -
Verma A. S.,
Bhardwaj S. R.
Publication year - 2006
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.200642229
Subject(s) - ionic bonding , dielectric , band gap , chemistry , crystal (programming language) , semiconductor , bond length , charge (physics) , crystal structure , condensed matter physics , crystallography , ion , physics , quantum mechanics , organic chemistry , computer science , programming language
The dielectric description of ionicity developed by Phillips and Van Vechten has been successfully employed in a wide range of semi‐conductors and insulators. However, the applicability of this Phillips and Van Vechten (PV) dielectric analysis has been limited to only the simple A N B 8– N compounds, which contain only one type of bond. Levine has extended the theory of PV to multi bond and complex crystals. Levine's theory of ionicity has been used to calculate the various bond parameters for the chalcopyrites. In this paper a simple method based on the product of ionic charge and nearest‐neighbor distance of solids, is proposed for the calculation of ionic gap ( E c ), average energy gap ( E g ), crystal ionicity ( f i ) and dielectric constant ( ϵ ) of zinc blende (A II B VI and A III B V ) and chalcopyrite (A I B III $ \rm C ^{\rm VI}_{2} $ and A II B IV $ \rm C ^{\rm V}_{2} $ ) semiconductors. We find the ionic gap ( E c ) and average energy gap ( E g ) are inversely related to product of ionic charge and nearest‐neighbor distance. Our evaluated values are in excellent agreement with the values reported by different researchers. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)