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Cited by 269

The DOI matches its Crossref record; 21 of the 21 references it cites were found in a registry or an index.

New model dielectric function and exchange-correlation potential for semiconductors and insulators

Levine, Zachary H., Louie, Steven G.·1982·Physical Review B
DOI 10.1103/physrevb.25.6310
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Abstract

We propose a new model frequency and wave-vector-dependent dielectric function for systems with an energy gap in their electronic excitation spectrum. The function is homogeneous, isotropic, and causal and satisfies two sum rules relating to particle-number conservation. Moreover, it has an analytic representation, reduces to the Lindhard function in the limit of zero gap, and compares well numerically with the $\ensuremath{\epsilon}(q,\ensuremath{\omega})$ of Si from band-structure calculations. With the model irreducible polarizability, we extend the theory of Singwi et al. [Phys. Rev. B 1, 1044 (1970)] to obtain a one-parameter family of exchange-correlation potentials appropriate for semiconductors and insulators. The existence of a band gap is found to enhance the exchange contributions but reduces the correlation contributions to the exchange-correlation potentials resulting in an overall potential which deepens as the average band gap of the system increases. A band calculation of silicon in the present theory shows a slight improvement of the band gaps over previous work using the metallic exchange-correlation potential.

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Metadata

Authors
Levine, Z. H., & Louie, S. G.
Venue
Physical Review B
Publisher
American Physical Society (APS)
Published
1982-05-15
Volume
25
Issue
10
Pages
6310-6316
ISSN
0163-1829 (ISSN-L)
DOI
10.1103/physrevb.25.6310
OpenAlex
W1984126649
Cited by
269
References
21
FWCI
5.55
Type
journal article
Language
en
Open access
closed

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