Electronic structure of metals. II. Phonon spectra and Fermi surface distortions
- 1 October 1975
- journal article
- Published by IOP Publishing in Journal of Physics F: Metal Physics
- Vol. 5 (10) , 1849-1859
- https://doi.org/10.1088/0305-4608/5/10/008
Abstract
For pt.I see ibid., vol.5, p.1836 (1975). The energy independent model pseudopotential (EIMP) formalism, developed in the preceding paper, and Shaw's optimized model potential (OMP) formalism are applied to first principles calculations of phonon spectra of the alkali metals and Al and of Fermi surface distortions for the alkali metals. Further, when compared with existing APW calculations for Fermi surface distortions, the relativistic effects due to the deep-core electrons, which is taken into account implicitly through the model potential parameters in the EIMP calculation, are found to be rather significant for heavier metals.Keywords
This publication has 19 references indexed in Scilit:
- Third order perturbation theory and lattice dynamics of simple metalsJournal of Physics F: Metal Physics, 1974
- Electronic Structure of Transition Metals. II. Phonon SpectraPhysical Review B, 1973
- Augmented-Plane-Wave Hartree-Fock First-Principles Calculation of the Fermi Surfaces of Li, Na, and KPhysical Review B, 1973
- Crystal Potentials and the Fermi Surface of the Alkali Metals (I)Journal of the Physics Society Japan, 1971
- On-Resonant Levels in Heavy Alkali MetalsPhysical Review B, 1970
- Electron-Ion Interaction and the Fermi Surfaces of the Alkali MetalsPhysical Review B, 1969
- Electronic Theory of Phase Transitions in Ca, Sr, and Ba under PressurePhysical Review B, 1967
- The phonon spectra of alkali metals and aluminiumIl Nuovo Cimento B (1971-1996), 1966
- The screened model potential for 25 elementsPhilosophical Magazine, 1965
- Electronic Structure and the Properties of Metals. I. FormulationPhysical Review B, 1963