Electronic and optical properties of CeO under pressure
- 20 February 1989
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 1 (7) , 1169-1180
- https://doi.org/10.1088/0953-8984/1/7/001
Abstract
The volume behaviour of cerium monoxide (CeO) is interesting as a function of pressure. The volume decreases rapidly up to 3 GPa and decreases more slowly above 3 GPa. The authors present the fully self-consistent band structure of CeO for four different values of lattice constant corresponding to four different pressures, using the linearised augmented plane-wave method. The local density formulation has been assumed for the exchange and correlation part of the potential. From the band-structure results, they have calculated the valency of Ce in CeO. The calculated valency increases from 3.0 to 3.26 with increase in pressure. From the band-structure results, the density of states, the coefficient of linear specific heat and the optical absorption spectra have been calculated.Keywords
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