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Numerical study of anharmonic vibrational decay in amorphous and paracrystalline silicon
Fabian, Jaroslav
, Feldman, Joseph L., Hellberg, C. Stephen und Nakhmanson, S. M.
(2003)
Numerical study of anharmonic vibrational decay in amorphous and paracrystalline silicon.
Physical Review B 67 (22), S. 224302.
Veröffentlichungsdatum dieses Volltextes: 05 Aug 2009 13:33
Artikel
DOI zum Zitieren dieses Dokuments: 10.5283/epub.1826
Zusammenfassung
The anharmonic decay rates of atomic vibrations in amorphous silicon (a-Si) and paracrystalline silicon (p-Si), containing small crystalline grains embedded in a disordered matrix, are calculated using realistic structural models. The models are 1000-atom four-coordinated networks relaxed to a local minimum of the Stillinger-Weber interatomic potential. The vibrational decay rates are calculated ...
The anharmonic decay rates of atomic vibrations in amorphous silicon (a-Si) and paracrystalline silicon (p-Si), containing small crystalline grains embedded in a disordered matrix, are calculated using realistic structural models. The models are 1000-atom four-coordinated networks relaxed to a local minimum of the Stillinger-Weber interatomic potential. The vibrational decay rates are calculated numerically by perturbation theory, taking into account cubic anharmonicity as the perturbation. The vibrational lifetimes for a-Si are found to be on picosecond time scales, in agreement with the previous perturbative and classical molecular dynamics calculations on a 216-atom model. The calculated decay rates for p-Si are similar to those of a-Si. No modes in p-Si reside entirely on the crystalline cluster, decoupled from the amorphous matrix. The localized modes with the largest (up to 59%) weight on the cluster decay primarily to two diffusons. The numerical results are discussed in relation to a recent suggestion by van der Voort et al. [Phys. Rev. B 62, 8072 (2000)] that long vibrational relaxation inferred experimentally may be due to possible crystalline nanostructures in some types of a-Si.
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| Dokumentenart | Artikel | ||||
| Titel eines Journals oder einer Zeitschrift | Physical Review B | ||||
| Verlag: | American Physical Society (APS) | ||||
|---|---|---|---|---|---|
| Band: | 67 | ||||
| Nummer des Zeitschriftenheftes oder des Kapitels: | 22 | ||||
| Seitenbereich: | S. 224302 | ||||
| Datum | Juni 2003 | ||||
| Institutionen | Physik > Institut für Theoretische Physik > Lehrstuhl Professor Richter > Arbeitsgruppe Jaroslav Fabian | ||||
| Identifikationsnummer |
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| Dewey-Dezimal-Klassifikation | 500 Naturwissenschaften und Mathematik > 530 Physik | ||||
| Status | Veröffentlicht | ||||
| Begutachtet | Ja, diese Version wurde begutachtet | ||||
| An der Universität Regensburg entstanden | Ja | ||||
| URN der UB Regensburg | urn:nbn:de:bvb:355-epub-18263 | ||||
| Dokumenten-ID | 1826 |
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