Nitrogen-hydrogen defects in GaP

Dixon, P, Richardson, D, Jones, R, Latham, CD, Öberg, S, Torres, VJB and Briddon, PR (1998) Nitrogen-hydrogen defects in GaP Physica Status Solidi B: Basic Solid State Physics, 210 (2). pp. 321-326.

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Abstract

Models of the nitrogen–hydrogen defect in GaP, which contain one and two H atoms, are investigated using ab initio density functional cluster theory. We find that a single H atom binding to N possesses two infrared absorption frequencies close to those attributed to an NH2 defect. The modes shift with its charge state consistent with the photo-sensitivity found for the defect. A third mode observed for this centre is assumed to be an overtone of the bend mode. The isotope shifts of the calculated modes are in excellent agreement with experiment in contrast with the model which contains two H atoms.

Item Type:	Article
Authors :	Name Email ORCID Dixon, P Richardson, D Jones, R Latham, CD christopher.latham@surrey.ac.uk Öberg, S Torres, VJB Briddon, PR
Date :	December 1998
DOI :	10.1002/(SICI)1521-3951(199812)210:2<321::AID-PSSB321>3.0.CO;2-G
Depositing User :	Symplectic Elements
Date Deposited :	17 May 2017 12:37
Last Modified :	17 May 2017 12:37
URI:	http://epubs.surrey.ac.uk/id/eprint/836067

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