Screened Interionic Potential of the Simple Metals
- 15 June 1968
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 170 (3), 687-693
- https://doi.org/10.1103/physrev.170.687
Abstract
The modified interionic potential which includes both a direct ion-ion interaction and an indirect ion-electron-ion interaction has been studied for twelve simple metals, using Ashcroft's analytic bare-ion pseudopotential form factor and a modified Hartree dielectric function. The direct Coulomb interaction between any pair of ions is demonstrated to be exactly cancelled at distances greater than , which is around half the nearest-neighbor separation. Therefore, the interionic potential needed for a study of various properties of solids is entirely of a screened nature and has the usual Friedel oscillation in the asymptotic region. In general, however, the simple Friedel form is not a good representation for distances less than the fourth-neighbor separation. The interatomic force constants and the elastic constants derived from the screened interionic potential agreed reasonably well with experiments.
Keywords
This publication has 23 references indexed in Scilit:
- Modified Interionic Potential for the Alkali MetalsPhysical Review B, 1967
- The total electronic band structure energy for 29 elementsProceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, 1966
- The screened model potential for 25 elementsPhilosophical Magazine, 1965
- The model potential for positive ionsPhilosophical Magazine, 1965
- Non-local dielectric screening in metalsPhilosophical Magazine, 1965
- Theory of Sodium, Magnesium, and AluminumPhysical Review B, 1964
- A new method for the electronic structure of metalsPhilosophical Magazine, 1964
- Electronic Structure of a Series of MetalsPhysical Review B, 1963
- Electronic Structure and the Properties of Metals. I. FormulationPhysical Review B, 1963
- Electronic Structure and the Properties of Metals. II. Application to ZincPhysical Review B, 1963