Cited References : 19                 Times  Cited: 0

Abstract:
        The preferable carbon occupation in copper-based solid solutions is modeled in different Cu-C lattice cells and dusters. A study is based on the comparative analysis of electronic density distributions for different interatomic distances, supercell configurations, and compositions of carbon. For these solid solutions we use the linear muffin-tin orbitals (LMTO) and discrete variation method (DVM) computer codes which allow us to calculate equilibrium positions of carbon atoms. We study the concentration dependence of the lattice parameter in Cu-C solid solution and discuss the charge transfer in this system. (C) 1998 John Wiley & Sons, Inc.

Author Keywords:
electronic structure calculations, microstructure, composites, solid solutions

KeyWords Plus:
ELECTRONIC-STRUCTURE, MAGNETIC-PROPERTIES, ALLOYS, CARBON, COPPER

Addresses:
Dorfman S, Technion Israel Inst Technol, Dept Phys, IL-32000 Haifa, Israel.
Technion Israel Inst Technol, Dept Phys, IL-32000 Haifa, Israel.
Northwestern Univ, Dept Phys & Astron, Evanston, IL 60208 USA.
Ben Gurion Univ Negev, Dept Mat Engn, IL-84105 Beer Sheva, Israel.

Publisher:  JOHN WILEY & SONS INC, NEW YORK
IDS Number:     139CN
ISSN: 0020-7608