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
This publication has 21 references indexed in Scilit:
- Self-consistent band structure of praseodymium under pressureJournal of Physics F: Metal Physics, 1987
- Equation of state and electronic structure of solid CaO under high pressurePhysics Letters A, 1986
- Local‐Density‐Functional Approximation to the Energy Band Structure of TmS Using the Self‐Consistent Relativistic Linearized‐Augmented‐Planc‐Wave MethodPhysica Status Solidi (b), 1984
- Kondo Volume Collapse and theTransition in CeriumPhysical Review Letters, 1982
- Effective ionic charge and bulk modulus scaling in rocksalt-structured rare-earth compoundsPhysical Review B, 1982
- Electron-phonon coupling in the transition metals: Electronic aspectsPhysical Review B, 1977
- On calculating the electron-phonon mass enhancement lambda for compoundsJournal of Physics F: Metal Physics, 1976
- Electron-Phonon Interactions,Resonances, and Superconductivity in Transition MetalsPhysical Review Letters, 1972
- The electronic structure of h.c.p. YtterbiumSolid State Communications, 1971
- Proprietes magnetiques du nitrure de cerium: Centre d'Etudes Nucléaires de Fontenay-aux-Roses, S.E.C.P.E.R., Section d'Etudes des Céramiques à base de PlutoniumSolid State Communications, 1969