Hydrostatic-pressure coefficient of the indirect gap and fine structure of the valence band of 6H-SiC

Engelbrecht, F. and Zeman, J. and Wellenhofer, G. and Peppermüller, C. and Helbig, R. and Martinez, G. and Rössler, Ulrich (1997) Hydrostatic-pressure coefficient of the indirect gap and fine structure of the valence band of 6H-SiC. PHYSICAL REVIEW B, 56 (12). pp. 7348-7355. ISSN 0163-1829

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Abstract

Photoluminescence measurements on 6H-SiC doped with nitrogen have been performed under hydrostatic pressure up to 50 kbar at low temperature (T=29+/-2 K). The observed emission lines S-0, R-0, P-0, S-02, and R-02 are due to excitons with holes from the A and B valence bands bound to the neutral nitrogen donor. The energy shift of the P-0 line under hydrostatic pressure is used to determine the linear pressure coefficient of the indirect gap of 6H-SiC, which yields 0.20 eV/Mbar. The energy difference between the emission lines S-02 (R-02) and S-0 (R-0) of 5.15+/-0.1 (5.08+/-0.1) meV gives the splitting Delta(AB) of the topmost valence bands. We employ nonrelativistic band-structure calculations within the density-functional theory based on the local-density approximation in order to calculate the pressure coefficient of the indirect band gap of 6H-SiC (together with those of 4H, 2H, and 3C-SiC as well as those of diamond, Si, and Ge) and the crystal field splitting of the valence band. The latter, together with the experimental splitting Delta(AB) of the topmost valence bands A and B is used to estimate the spin-orbit splitting of 6H-SiC to be about 7.7 meV. The calculated pressure coefficient shows good agreement with the experimental value.

Item Type: Article
Uncontrolled Keywords: GROUND-STATE PROPERTIES; AB-INITIO CALCULATIONS; SILICON-CARBIDE; SIC POLYTYPES; ELECTRONIC-PROPERTIES; OPTICAL-PROPERTIES; RAMAN-SCATTERING; ABSORPTION; ENERGY; COMPRESSIBILITY
Subjects: 500 Science > 530 Physics
Divisions: Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Ulrich Rössler
Depositing User: Dr. Gernot Deinzer
Date Deposited: 29 Mar 2023 08:44
Last Modified: 29 Mar 2023 08:44
URI: https://pred.uni-regensburg.de/id/eprint/50557

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