Eckl, C. and Fritsch, J. and Pavone, P. and Schröder, Ulrich (1997) Ab initio calculation of phonons in GaP(110) and InAs(110) and trends within III-V(110) surfaces. SURFACE SCIENCE, 394 (1-3). pp. 47-59. ISSN 0039-6028, 1879-2758
Full text not available from this repository.Abstract
The plane-wave pseudopotential approach based on the density-functional theory together with the slab supercell method has been applied to determine the surface phonons of GaP(110) and InAs(110). We have calculated and analyzed the phonon dispersion curves along high-symmetry lines of the surface Brillouin zone by means of an ab initio linear-response formalism. The obtained phonon spectra are in excellent agreement with the results of previous theoretical studies and with data from high-resolution electron-energy-loss spectroscopy and inelastic He-atom scattering. Furthermore, we work out chemical trends concerning the dynamical properties of several III-V(110) surfaces. (C) 1997 Elsevier Science B.V.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | ELECTRONIC-PROPERTIES; BAND OFFSETS; SEMICONDUCTORS; GAAS; INP; DISPERSION; GAAS(110); GAP; SCATTERING; INP(110); bulk phonons; density-functional perturbation theory; density-functional theory; surface phonons; surface relaxation; III-V(110) surfaces |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 01 Mar 2023 11:20 |
| Last Modified: | 01 Mar 2023 11:20 |
| URI: | https://pred.uni-regensburg.de/id/eprint/50328 |
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