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ELECTRONIC-STRUCTURE OF V- CENTER IN MGO

NORGETT, MJ; STONEHAM, AM; PATHAK, AP; (1977) ELECTRONIC-STRUCTURE OF V- CENTER IN MGO. J PHYS C SOLID STATE , 10 (4) 555 - 565. 10.1088/0022-3719/10/4/012. Green open access

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Abstract

The authors have investigated in detail the two models of the V- centre, where a hole is trapped at a cation vacancy. These are the model of Bartram, Swenberg and Fourn (1965), where optical transitions occur within an O- ion, and the model of Schirmer, Koidl and Reik (1974), which involves a hole hopping from one oxygen ion to another. The calculations show (i) that the hole should be self-trapped on a single oxygen, as observed, (ii) that the predictions of ground-state ionization energy and of elastic and electrical dipole moments (apart from some uncertainties in local-field corrections) agree adequately with measurements, (iii) that the transitions within an O- ion appear to account for observed structure at around 1.5 eV, both in energy and oscillator strength, and (iv) that the observed 2.3 eV band corresponds to the transition suggested by Schirmer et al. Calculations are also given for some centres related to the V- centre, V0, V(Al)- and (Na)0, again predicting optical absorption in good agreement with experiment.

Type: Article
Title: ELECTRONIC-STRUCTURE OF V- CENTER IN MGO
Open access status: An open access version is available from UCL Discovery
DOI: 10.1088/0022-3719/10/4/012
Publisher version: http://dx.doi.org/10.1088/0022-3719/10/4/012
Language: English
Additional information: Text made available to UCL Discovery by kind permission of IOP Publishing, 2012
UCL classification: UCL > Provost and Vice Provost Offices
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
URI: http://discovery.ucl.ac.uk/id/eprint/59748
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