Effects of short-range order on the electronic structure of disordered metallic systems

• Main Authors: Rowlands, Derwyn A, Staunton, Julie B, Gyorffy, Balazs L, Bruno, Ezio, Ginatempo, Beniamino
• Format: Journal Article
• Language: English
• Published: 12-11-2004
• Subjects: Physics - Other Condensed Matter; Physics - Strongly Correlated Electrons
• DOI: 10.48550/arxiv.cond-mat/0411347

PRB 72, 045101 (2005) For many years the Korringa-Kohn-Rostoker coherent-potential approximation
(KKR-CPA) has been widely used to describe the electronic structure of
disordered systems based upon a first-principles description of the crystal
potential. However, as a single-site theory the KKR-CPA is unable to account
for important environmental effects such as short-range order (SRO) in alloys
and spin fluctuations in magnets, amongst others. Using the recently devised
KKR-NLCPA (where NL stands for nonlocal), we show how to remedy this by
presenting explicit calculations for the effects of SRO on the electronic
structure of the bcc Cu_{50}Zn_{50} solid solution.