Order- N Green's Function Technique for Local Environment Effects in Alloys

I. A. Abrikosov, A. M. N. Niklasson, S. I. Simak, B. Johansson, A. V. Ruban, and H. L. Skriver
Phys. Rev. Lett. 76, 4203 – Published 27 May 1996
PDFExport Citation

Abstract

We have developed a new approach to the calculations of ground state properties of large crystalline systems with arbitrary atomic configurations based on a Green's function technique in conjunction with a self-consistent effective medium for the underlying randomly occupied lattice. The locally self-consistent multiple scattering method and the coherent potential approximation are two simple limits of our general formulation. The efficiency and the excellent convergence properties of the method are demonstrated in calculations for two alloy systems, Cu-Zn and Rh-Pd.

  • Received 22 December 1995

DOI:https://doi.org/10.1103/PhysRevLett.76.4203

©1996 American Physical Society

Authors & Affiliations

I. A. Abrikosov, A. M. N. Niklasson, S. I. Simak, and B. Johansson

  • Condensed Matter Theory Group, Physics Department, Uppsala University, S-75121 Uppsala, Sweden

A. V. Ruban and H. L. Skriver

  • Center for Atomic-scale Materials Physics and Department of Physics, Technical University of Denmark, DK-2800 Lyngby, Denmark

References (Subscription Required)

Click to Expand
Issue

Vol. 76, Iss. 22 — 27 May 1996

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review Letters

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×