Cluster coherent potential approximation for the electronic structure of disordered alloys

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...

Electronic structure and magnetism of disordered bcc Fe alloys

We here study electronic structure and magnetic properties of disordered bcc CoxFe1−x, CrxFe1−x and MnxFe1−x alloys in their ferromagnetic phases using Augmented Space Recursion (ASR) technique coupled with tight-binding linearized muffin tin orbital (TB-LMTO) method. We calculate the densities of states, magnetic moments and Curie temperatures of these alloys to show the variation upon alloyin...

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. ...

Ja n 19 99 Coherent Potential Approximation for ‘ d - wave ’ Superconductivity in Disordered Systems

A Coherent Potential Approximation is developed for s–wave and d–wave superconductivity in disordered systems. We show that the CPA formalism reproduces the standard pair-breaking formula, the self-consistent Born Approximation and the self-consistent T -matrix approximation in the appropriate limits. We implement the theory and compute Tc for s–wave and d–wave pairing using an attractive neare...