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The ground state of two-hole centres in oxides

Stoneham, AM; Pathak, AP; Bartram, RH; (1976) The ground state of two-hole centres in oxides. Journal of Physics C: Solid State Physics , 9 (1) 73 -80. 10.1088/0022-3719/9/1/015. Green open access

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Abstract

The nature of the ground state of the V centre in ionic oxides is discussed, where two holes are trapped by a cation vacancy. Experiment appears to indicate an S=1 ground state for BeO and Al 2 O 3 and possibly ZnO, with S=0 in MgO and CaO. Simple theoretical arguments suggest S=0. It is shown that a weak mixture of (O 0 O 2- ) configurations into the dominant (O - O - ) configuration can explain the observations. Quantitative calculations are given for MgO, and suggest the singlet state is lowest by about 30 cm -1 .

Type: Article
Title: The ground state of two-hole centres in oxides
Open access status: An open access version is available from UCL Discovery
DOI: 10.1088/0022-3719/9/1/015
Publisher version: http://dx.doi.org/10.1088/0022-3719/9/1/015
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/1321481
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