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Phys. Rev. B 47, 15500–15508 (1993)

Tight-binding representation of the optical matrix elements: Theory and applications

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L. C. Lew Yan Voon
Department of Physics, Worcester Polytechnic Institute, Worcester, Massachusetts 01609

L. R. Ram-Mohan
Departments of Physics, Electrical and Computer Engineering, Worcester Polytechnic Institute, Worcester, Massachusetts 01609

Received 14 January 1993; published in the issue dated 15 June 1993

We have derived new expressions for the interband optical matrix elements of crystalline solids, applicable when the k-space Hamiltonian is known. The formalism does not require a complete knowledge of the electronic states and is hence useful for empirical band-structure calculations. We find that no additional parameters, other than those present in the Hamiltonian, are required. The accuracy of the results obtained from different tight-binding parameter sets for the GaAs/AlAs system for bulk semiconductors and heterostructures is compared.

© 1993 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.47.15500
DOI:
10.1103/PhysRevB.47.15500
PACS:
78.20.Bh, 78.66.Fd