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

摘要

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