Karch, K. and Bechstedt, F. and Pavone, P. and Strauch, Dieter (1996) Pressure-dependent properties of SiC polytypes. PHYSICAL REVIEW B, 53 (20). pp. 13400-13413. ISSN 0163-1829
Full text not available from this repository.Abstract
We present a first-principles study on the pressure-dependent properties of cubic and hexagonal polytypes of silicon carbide (SiC). Our calculations have been performed within density-functional perturbation theory, using the plane-wave pseudopotential approach. The stability of several high-pressure SiC phases is discussed in terms of the ionicity and metallicity of the Si-C bonds. Furthermore, we investigate pressure dependence of the zone-center frequencies, of the Born effective charges, and of the static and high-frequency dielectric constants for 3C, 2H, and 4H polytypes of SiC. Whereas the structural and electronic properties of the cubic and hexagonal polytypes are very similar, remarkable pressure-induced differences are found for the dynamical and dielectric properties. The unusual behavior of the transverse effective charge recently observed experimentally for 6H SiC is discussed.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | V ZINCBLENDE SEMICONDUCTORS; ELECTRONIC-PROPERTIES; PHASE-TRANSITION; STRUCTURAL-PROPERTIES; RAMAN-SCATTERING; ALUMINUM NITRIDE; BRILLOUIN-ZONE; SOLIDS; STABILITY; STATE |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics > Alumni or Retired Professors > Group Dieter Strauch |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 06 Jul 2023 06:57 |
| Last Modified: | 06 Jul 2023 06:57 |
| URI: | https://pred.uni-regensburg.de/id/eprint/51709 |
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