ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A bond model directly derived from an LCAO Hamiltonian is applied to the study of Group IV elemental semiconductors. The derivation has been made through suitable approximations of the interaction integrals. The average and the lowest energy gaps of C, Si, Ge, and α-Sn are then computed with the use of just one parameter. The overall reliability of the model has been checked by computing the lattice dilatation contribution to the temperature coefficient of the lowest energy gap of Ge. The result is in excellent agreement with the experiment.
Additional Material:
2 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560190630
