The ground state of two-hole centres in oxides
- 14 January 1976
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 9 (1) , 73-80
- https://doi.org/10.1088/0022-3719/9/1/015
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 Al2O3 and possibly ZnO, with S=0 in MgO and CaO. Simple theoretical arguments suggest S=0. It is shown that a weak mixture of (O0O2-) 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.Keywords
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