Random Kondo alloys investigated with the coherent potential approximation

Structure of Sn12xGex random alloys as obtained from the coherent potential approximation

The structure of the Sn1 xGex random alloys is studied using density functional theory and the coherent potential approximation. We report on the deviation of the Sn1 xGex alloys from Vegard’s law, addressing their full compositional range. The findings are compared to the related Si1 xGex alloys and to experimental results. Interestingly, the deviation from Vegard’s law is quantitatively and q...

Madelung energy for random metallic alloys in the coherent potential approximation.

Theory of electronic transport in random alloys with short-range order: Korringa-Kohn-Rostoker nonlocal coherent potential approximation

We present an ab initio formalism for the calculation of transport properties in compositionally disordered systems within the framework of the Korringa-Kohn-Rostoker nonlocal coherent potential approximation. Our formalism is based on the single-particle Kubo-Greenwood linear response and provides a natural means of incorporating the effects of short-range order upon the transport properties. ...

Investigation of the nonlocal coherent-potential approximation

Recently the nonlocal coherent-potential approximation (NLCPA) has been introduced by Jarrell and Krishnamurthy for describing the electronic structure of substitutionally-disordered systems. The NLCPA provides systematic corrections to the widely used coherent-potential approximation (CPA) whilst preserving the full symmetry of the underlying lattice. Here an analytical and systematic numerica...

Local Charge Distributions in Metallic Alloys: a Local Field Coherent Potential Approximation Theory