Three-Body Forces in the Lattice Dynamics of Beryllium
- 10 December 1973
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 31 (24), 1466-1469
- https://doi.org/10.1103/physrevlett.31.1466
Abstract
We present a first-principles calculation of the lattice dynamics of Be. The dynamical matrix is set up by evaluating the total electron energy up to third order in the electron-ion pseudopotential. In this way we are able to describe the three-body forces, which are essential for reproducing the experimental data.Keywords
This publication has 10 references indexed in Scilit:
- Experimental Evidence of Breakdown of Simple Pseudopotential Theory for Lattice Dynamics of BerylliumPhysical Review Letters, 1973
- Lattice Dynamics of Beryllium from a First-Principles Nonlocal Pseudopotential ApproachPhysical Review B, 1970
- Electron Correlations at Metallic Densities. IVPhysical Review B, 1970
- Lattice Dynamics of Beryllium Using a Pseudopotential ApproachPhysical Review B, 1969
- Lattice Dynamics of hcp Metals Computed from an Optimum-Model PotentialPhysical Review B, 1969
- A structural expansion of the cohesive energy of simple metals in an effective Hamiltonian approximationJournal of Physics C: Solid State Physics, 1968
- Optimum Form of a Modified Heine-Abarenkov Model Potential for the Theory of Simple MetalsPhysical Review B, 1968
- Extension of the Dispersion-Relation Measurements of BerylliumPhysical Review B, 1966
- The screened model potential for 25 elementsPhilosophical Magazine, 1965
- A new method for the electronic structure of metalsPhilosophical Magazine, 1964