Structural and vibrational properties of N, N pairs, and [N,H] complexes in silicon
| dc.creator | McAfee, Jason L | |
| dc.date.accessioned | 2016-11-14T23:09:23Z | |
| dc.date.available | 2011-02-18T23:39:04Z | |
| dc.date.available | 2016-11-14T23:09:23Z | |
| dc.date.issued | 2004-08 | |
| dc.degree.department | Physics | en_US |
| dc.description.abstract | First-principles molecular-dynamics simulations are used to predict the structures and binding energies of interstitial nitrogen (Ni), substitutional nitrogen (Ng), the Njself- interstitial complex, the {Ni,Ni}, {Ni,Ns} = {N2,V}, and {Ng, N J = {N2,V2} pairs (V is the vacancy). The interactions of N with H in Si are studied and the properties of several {N, H} complexes predicted. The dynamical matrices yield many new local and pseudo-locfil vibrational modes associated with the impurities and their Si nearest-neighbors. The unidentified (N, H}-related infra-red absorption line reported by Pajot et al. is assigned to the {Ng, H} complex. | |
| dc.format.mimetype | application/pdf | |
| dc.identifier.uri | http://hdl.handle.net/2346/20337 | en_US |
| dc.language.iso | eng | |
| dc.publisher | Texas Tech University | en_US |
| dc.rights.availability | Unrestricted. | |
| dc.subject | Semiconductors -- Defects | en_US |
| dc.subject | Vibrational spectra | en_US |
| dc.subject | Microelectronics | en_US |
| dc.subject | Nitrogen -- Bonding | en_US |
| dc.subject | Silicon crystals -- Defects | en_US |
| dc.title | Structural and vibrational properties of N, N pairs, and [N,H] complexes in silicon | |
| dc.type | Thesis |