WINKLER, R (1993) A NOTE ON ANALYTIC QUADRATIC BRILLOUIN-ZONE INTEGRATION. JOURNAL OF PHYSICS-CONDENSED MATTER, 5 (15). pp. 2321-2332. ISSN 0953-8984,
Full text not available from this repository.Abstract
We propose an improved quadratic simplex method for evaluating surface and volume integrals in the Brillouin zone. The scheme that is commonly used for deriving a piecewise quadratic interpolation of the dispersion misweights the gridpoints with respect to their symmetry-induced multiplicity. We suggest subdividing the simplices into smaller ones for which different interpolating functions are obtained. In addition, we derive analytical expressions for both the surface and volume integral in two dimensions which properly take into account the integrable Van Hove singularities. As an example, we discuss the self-consistent calculation of the hole subband structure in a GaAs-AlGaAs heterojunction.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | TETRAHEDRON METHOD; SINGULAR-INTEGRALS; OPTICAL-PROPERTIES; TOTAL-ENERGY; DENSITY; STATES; HETEROJUNCTIONS; SCHEME; ERROR; HOLES; |
| Depositing User: | Dr. Gernot Deinzer |
| Last Modified: | 19 Oct 2022 08:42 |
| URI: | https://pred.uni-regensburg.de/id/eprint/54004 |
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