Fritsch, J. and Pavone, P. and Schröder, Ulrich (1995) Ab initio calculation of the phonon dispersion in bulk InP and in the InP(110) surface. PHYSICAL REVIEW B, 52 (15). pp. 11326-11334. ISSN 2469-9950, 2469-9969
Full text not available from this repository.Abstract
An ab initio linear-response approach based on the density-functional theory has been used to investigate the dynamics of bulk InP and of the InP(110) surface. The plane-wave pseudopotential method together with the slab supercell description for the surface have been employed in order to determine the complete bulk phonon spectrum, the atomic geometry of the InP(110) surface, and the surface phonon dispersion in a consistent formalism. The calculated structural and dynamical properties of both the bulk and the surface compare very well with all available experimental data. Furthermore, we examine the influence of the structural details of InP(110) on the surface vibrational features. Our ab initio results indicate the fingerprints of the relaxation geometry in the surface phonon dispersion.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ENERGY-ELECTRON-DIFFRACTION; V-COMPOUND SEMICONDUCTORS; RAY STANDING-WAVE; 110 SURFACES; ATOMIC GEOMETRIES; LATTICE-DYNAMICS; GAAS(110); GAAS; GAP; FACES |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 02 Jan 2024 10:35 |
| Last Modified: | 02 Jan 2024 10:35 |
| URI: | https://pred.uni-regensburg.de/id/eprint/52270 |
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