Karch, K. and Bechstedt, F. and Pavone, P. and Strauch, Dieter (1996) Pressure-dependent dynamical and dielectric properties of cubic SiC. JOURNAL OF PHYSICS-CONDENSED MATTER, 8 (17). pp. 2945-2955. ISSN 0953-8984, 1361-648X
Full text not available from this repository.Abstract
The plane-wave pseudopotential approach to the density-functional theory (DFT) in the local-density approximation (LDA) is used for an ab initio calculation of pressure-dependent structural, lattice-dynamical, and dielectric properties of cubic silicon carbide (3C SiC). Whereas the influence of hydrostatic pressure on the structural and the underlying bonding properties is treated within the DFT-LDA, the linear-response theory is applied to describe the pressure dependence of the zone-centre phonon frequencies, the dielectric constant, and the Born effective charge of 3C SiC. Furthermore, the results for 3C SiC are compared with the corresponding ones for silicon and diamond.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | GROUND-STATE PROPERTIES; SILICON-CARBIDE; RAMAN-SCATTERING; EFFECTIVE CHARGES; PHONON FREQUENCY; BAND-GAPS; III-V; DIAMOND; SOLIDS; SEMICONDUCTORS |
| 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: | 26 Oct 2023 12:35 |
| Last Modified: | 26 Oct 2023 12:35 |
| URI: | https://pred.uni-regensburg.de/id/eprint/51769 |
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