FRITSCH, J and PAVONE, P and SCHRODER, U (1993) AB-INITIO CALCULATION OF SURFACE PHONONS IN GAAS(110). PHYSICAL REVIEW LETTERS, 71 (25). pp. 4194-4197. ISSN 0031-9007,
Full text not available from this repository.Abstract
We have investigated the dynamics of the relaxed GaAs(110) surface using an ab initio linear-response approach in the framework of density-functional theory. The relaxation geometry was found by minimizing the total energy with the help of the Hellmann-Feynman forces. In terms of the electronic ground-state properties we have calculated the full phonon dispersion of GaAs(110) along high symmetry lines of the surface Brillouin zone by means of a self-consistent first-order perturbation scheme without any adjustable parameters. Our results axe in excellent agreement with all available experimental data.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | DISPERSION-CURVES; SCREENING CALCULATION; SEMICONDUCTORS; GEOMETRY; ENERGY; |
| Depositing User: | Dr. Gernot Deinzer |
| Last Modified: | 19 Oct 2022 08:42 |
| URI: | https://pred.uni-regensburg.de/id/eprint/53621 |
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