Published 1992
| Version v1
Book
Self-consistent-field KKR-CPA calculations in the atomic-sphere approximations
Creators
- 1. Dept. of Chemistry and Materials Sciences, Lawrence Livermore National Lab., Livermore, CA (United States)
- 2. Dept. of Materials Science and Mineral Engineering, Univ. of California, Berkeley, CA (United States)
Description
This paper presents a formulation of the Korringa-Kohn-Rostoker coherent potential approximation (KKR-CPA) for the treatment of substitutionally disordered alloys within the KKR atomic-sphere approximation (ASA). The KKR-ASA-CPA represents the first step toward the implementation of a full cell potential CPA, and combines the accuracy of the KKR-CPA method with the flexibility of treating complex crystal structures. The accuracy of this approach has been tested by comparing the self-consistent-field (SCF) KKR-ASA-CPA calculations of Cu-Pd alloys with experimental results and previous SCf-KR-CPa calculations
Additional details
Publishing Information
- Publisher
- Materials Research Society.
- Imprint Place
- Pittsburgh, PA (United States)
- ISBN
- 1-55899-147-6
- Imprint Title
- Proceedings of applications of multiple scattering theory to materials science
- Imprint Pagination
- 535 p.
- Journal Page Range
- p. 221-226.
Conference
- Title
- Annual fall meeting of the Materials Research Society.
- Dates
- 2-6 Dec 1991.
- Place
- Boston, MA (United States).
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 24009878
- Subject category
- S36: MATERIALS SCIENCE; S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Resource subtype / Literary indicator
- Conference, Numerical Data
- Descriptors DEI
- ALLOYS; COPPER ALLOYS; CRYSTAL STRUCTURE; EXPERIMENTAL DATA; PALLADIUM ALLOYS; RANDOMNESS; USES
- Descriptors DEC
- DATA; INFORMATION; NUMERICAL DATA; PLATINUM METAL ALLOYS
Optional Information
- Secondary number(s)
- CONF-911202--.