Honke, Robert and Pavone, P. and Schröder, Ulrich (1996) Surface phonons of Si(111):H-(1 x 1) and Si(111):As-(1 x 1). SURFACE SCIENCE, 367 (1). pp. 75-86. ISSN 0039-6028, 1879-2758
Full text not available from this repository.Abstract
The full phonon dispersions of the fully relaxed Si(111):H-(1 x 1) and Si(111):As-(1 x 1) surfaces are studied within a first-order density-functional perturbation scheme. The results are in excellent agreement with the experiment. It is shown that, despite of significant deviations in the surface force constants, most differences in the two phonon spectra are an effect of the different masses of the surface atoms. Furthermore, the Debye-Waller factors are calculated and discussed. For the atoms in the surface region, they exhibit a pronounced anisotropy. Convergence towards the bulk value is not reached until the eighth atomic layer.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | H-TERMINATED SI(111); INVERSE-PHOTOEMISSION SPECTROSCOPY; ENERGY-LOSS SPECTROSCOPY; ELECTRONIC-STRUCTURE; SEMICONDUCTOR SURFACES; MOLECULAR-DYNAMICS; HELIUM SCATTERING; VIBRATIONS; PSEUDOPOTENTIALS; DEPENDENCE; adatoms; arsenic; density functional calculations; hydrogen; low index single crystal surface; silicon; surface atoms; surface relaxation and reconstruction |
| Subjects: | 500 Science > 530 Physics |
| Divisions: | Physics > Institute of Theroretical Physics |
| Depositing User: | Dr. Gernot Deinzer |
| Date Deposited: | 25 May 2023 12:40 |
| Last Modified: | 25 May 2023 12:40 |
| URI: | https://pred.uni-regensburg.de/id/eprint/51349 |
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