Electronic charge density at nuclear sites in beryllium metal: Dependence on lattice constants
- 15 September 1975
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 12 (6) , 2080-2083
- https://doi.org/10.1103/physrevb.12.2080
Abstract
A calculation of the electronic charge density at the nuclear site in beryllium metal as a function of lattice parameters is presented. It is based on an orthogonalized-plane-wave method and it includes changes in unit cell volume by -1 and -2% as well as changes in ratio from the normal pressure value by +1%, 0%, and -1%. For a typical volume change of -2%, the conduction-electron charge density at the nuclear site changes by +1.4%. For the same volume change, the total electron charge density changes by +0.09%.
Keywords
This publication has 6 references indexed in Scilit:
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