CINECA IRIS Institutional Research Information System
IRIS è la piattaforma adottata dall’Università degli Studi di Udine per gestire l’archivio aperto dei prodotti della ricerca. L’archivio contiene articoli, contributi in volume, monografie, interventi pubblicati in atti di convegno, Tesi di dottorato e altri materiali.
EnglishThe atomic complex formed by silicon, hydrogen, and aluminum atoms has been investigated by use of the pseudopotential-density-functional method in a supercell approach. The stable equilibrium geometry found for this complex is an off-axis configuration, with the hydrogen atom located near a Si-acceptor pair, noticeably different from the on-axis configuration obtained in the boron case. This result, together with a H local mode at quite low frequency, explains the fine structure reported for the vibrational spectra in hydrogenated Si:Al.
| Titolo: | STRUCTURAL AND VIBRATIONAL PROPERTIES OF THE SI-H-AL COMPLEX IN CRYSTALLINE SILICON |
| Autori: | |
| Data di pubblicazione: | 1991 |
| Rivista: | |
| Abstract: | The atomic complex formed by silicon, hydrogen, and aluminum atoms has been investigated by use of the pseudopotential-density-functional method in a supercell approach. The stable equilibrium geometry found for this complex is an off-axis configuration, with the hydrogen atom located near a Si-acceptor pair, noticeably different from the on-axis configuration obtained in the boron case. This result, together with a H local mode at quite low frequency, explains the fine structure reported for the vibrational spectra in hydrogenated Si:Al. |
| Handle: | http://hdl.handle.net/11390/679832 |
| Appare nelle tipologie: | 1.1 Articolo in rivista |
File in questo prodotto:
http://hdl.handle.net/11390/679832
Copyright © 2021