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Dependence of energy gaps and effective masses on atomic positions in hexagonal SiC
Department of Physics, Chemistry and Biology, Linköping University.
1999 (English)In: Journal of Applied Physics, ISSN 0021-8979, E-ISSN 1089-7550, Vol. 86, no 9, p. 5036-5039Article in journal (Refereed) Published
Abstract [en]

We have performed several band structure calculations on 2H–, 4H–, and 6H–SiC, using different lattice constants and basis atom positions in order to investigate the sensitivity of the electronic structure and explain the discrepancies in band structure results between different authors. It is shown that even small changes in the basis atom positions have a strong impact on the crystal-field splitting, whereas the relative changes in the fundamental band gap, the spin-orbit splitting, and the effective electron and hole masses are practically negligible. The computational method was based on the local density approximation within the density functional theory.

Place, publisher, year, edition, pages
AIP Publishing , 1999. Vol. 86, no 9, p. 5036-5039
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-357118DOI: 10.1063/1.371475ISI: 000083189100046Scopus ID: 2-s2.0-0001120250OAI: oai:DiVA.org:kth-357118DiVA, id: diva2:1918041
Available from: 2024-12-04 Created: 2024-12-04 Last updated: 2024-12-06Bibliographically approved

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Persson, Clas

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