Interionic interactions in simple metals
- 15 April 1982
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 25 (8) , 5007-5017
- https://doi.org/10.1103/physrevb.25.5007
Abstract
Second-order pseudopotential theory is combined with the Fermi-Thomas dielectric response to derive an analytic form for a purely repulsive screened Coulomb interaction between ions balanced by a volume-dependent energy which has no direct influence on the detailed structural properties. The interaction is evaluated for the empty-core pseudopotential and used to give direct predictions of the bulk modulus, the Cauchy ratio , the Poisson ratio, and the Grüneisen constant for the simple metals, which are compared with experimental values. The interaction is also used to obtain phonon spectra and densities of modes for aluminum, and these are compared to experiment. Finally a simple expression for the principal volume-dependent energy is obtained.
Keywords
This publication has 10 references indexed in Scilit:
- Cohesive Energies of Simple Metals as Determined from Atomic Kinetic EnergiesPhysical Review Letters, 1981
- Comment on "Relationship between two-body interatomic potentials in a lattice model and elastic constants"Physical Review B, 1981
- Response to "Comment on `Relationship between two-body interatomic potentials in a lattice model and elastic constants"'Physical Review B, 1981
- Phonon-Frequency Distributions and Heat Capacities of Aluminum and LeadPhysical Review B, 1967
- Electron-ion pseudopotentials in metalsPhysics Letters, 1966
- Dispersion Relations for Phonons in Aluminum at 80 and 300°KPhysical Review B, 1966
- Electronic Structure and the Properties of Metals. II. Application to ZincPhysical Review B, 1963
- On the Stability of Molecules in the Thomas-Fermi TheoryReviews of Modern Physics, 1962
- The Thermal Expansion of SolidsPhysical Review B, 1953
- Note on Grüneisen's Constant for the Incompressible MetalsPhysical Review B, 1940