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dc.creatorMcAfee, Jason L
dc.date.available2011-02-18T23:39:04Z
dc.date.issued2004-08
dc.identifier.urihttp://hdl.handle.net/2346/20337en_US
dc.description.abstractFirst-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.mimetypeapplication/pdf
dc.language.isoeng
dc.publisherTexas Tech Universityen_US
dc.subjectSemiconductors -- Defectsen_US
dc.subjectVibrational spectraen_US
dc.subjectMicroelectronicsen_US
dc.subjectNitrogen -- Bondingen_US
dc.subjectSilicon crystals -- Defectsen_US
dc.titleStructural and vibrational properties of N, N pairs, and [N,H] complexes in silicon
dc.typeThesis
thesis.degree.nameM.S.
thesis.degree.levelMasters
thesis.degree.disciplinePhysics
thesis.degree.grantorTexas Tech University
thesis.degree.departmentPhysics
dc.degree.departmentPhysicsen_US
dc.rights.availabilityUnrestricted.


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