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Semi‐Empirical Tight Binding Calculations for the Energy Bands of the Diamond and Zincblende Type Semiconductors
Author(s) -
Sahu S. N.,
Borenstein J. T.,
Singh V. A.,
Corbett J. W.
Publication year - 1984
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.2221220231
Subject(s) - semiconductor , diamond , materials science , tight binding , electronic band structure , compound semiconductor , computational chemistry , semiconductor materials , condensed matter physics , chemistry , electronic structure , nanotechnology , physics , optoelectronics , metallurgy , layer (electronics) , epitaxy
A semi‐empirical molecular orbital theory is applied to study the band structures of the elemental (group IV) and III‐V compound semiconductors. The various parameterizational procedures of the elemental semiconductors are carefully studied and some of the results applied to the III‐V compounds to establish good sets of parameters for them. It is found that the orbital exponents are a set of very sensitive and important parameters in determining the correct shape of the bands in all the semiconductors.