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.
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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 UCL > Provost and Vice Provost Offices > UCL BEAMS UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences |
| URI: | https://discovery.ucl.ac.uk/id/eprint/1321481 |
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