ELECTRONIC STRUCTURE OF METALLIC ALLOYS.
Abstract
In a previous report a method using the effective potential matrix (Hilton, March and Curtis, 1967 referred to hereafter as HMC) was proposed for dealing with alloys. In order to apply this method to either solid or liquid alloys, configuration averages have to be performed. The main task in this reporting period has been a study on averaging over random arrays. A pseudoatom, as discussed by HMC has been considered. The density matrix for a random array of such pseudoatoms is discussed. It is shown how such random averaging can be carried out in the approximation of independent pseudoatoms. Finally the necessary modifications for binary alloys is indicated.
Document Details
- Document Type
- Technical Report
- Publication Date
- Nov 30, 1967
- Accession Number
- AD0665818
Entities
People
- J. S. Rousseau
- N. H. March
Organizations
- University of Sheffield