Ground-state properties of fcc and bcc lanthanum
- 15 March 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 39 (8) , 4921-4925
- https://doi.org/10.1103/physrevb.39.4921
Abstract
The results of self-consistent linearized augmented-plane-wave calculations of the ground-state properties of fcc and bcc lanthanum are reported. It is found that there is considerable sensitivity in the calculated structural properties to the particular exchange-correlation potential used. Band structures and electronic densities of states for both structures are reported. The fcc-bcc phase transition is discussed in terms of the calculated energetics and electronic structures.Keywords
This publication has 25 references indexed in Scilit:
- Local-Density-Functional Calculation of the Pressure-Induced Metallization of BaSe and BaTePhysical Review Letters, 1985
- Self-consistent linearized augmented-plane-wave study of the electronic structure and superconductivity of fcc lanthanum under pressurePhysical Review B, 1980
- Special points for Brillouin-zone integrationsPhysical Review B, 1976
- Pressure-induced lattice instability in fcc lanthanum at low temperatureJournal of Low Temperature Physics, 1975
- Explicit local exchange-correlation potentialsJournal of Physics C: Solid State Physics, 1971
- Thermal Expansion and Magnetostriction of La Metal at Low TemperaturesPhysical Review B, 1968
- Law of Corresponding States for fcc and d-hcp LaPhysical Review B, 1967
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- The atomic heats of the rare-earth elementsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1951
- On the Interaction of Electrons in MetalsPhysical Review B, 1934