Augmented-space cluster coherent potential approximation for binary random and short-range ordered alloys
Abstract
We use the earlier ideas of Razee and Prasad [Phys. Rev. B 45, 3265 (1992); Phys. Rev. B 48, 1349 (1993)], Datta [Phys. Rev. B 48, 8567 (1993)], and Mookerjee and Prasad [Phys. Rev. B 48, 17724 (1993)] to propose and implement a cluster generalization of the coherent potential approximation within a tight-binding linear muffin-tin orbital minimal basis set for binary alloys which are either random or have short-range order. In particular, we shall apply the technique to the CuZn alloys and compare it with other approaches.
- Publication:
-
Physical Review B
- Pub Date:
- February 2009
- DOI:
- 10.1103/PhysRevB.79.054201
- Bibcode:
- 2009PhRvB..79e4201R
- Keywords:
-
- 36.40.Cg;
- 75.50.Pp;
- Electronic and magnetic properties of clusters;
- Magnetic semiconductors