Magnetic phase diagram for CuMn

To study the magnetic phases of CuMn, we carry out a generalized perturbation expansion of the band energy across the composition range. We obtain the pair energy using the orbital peeling technique of Burke, based on the tight-binding linear muffin-tin orbital and augmented space recursion methods. We analyze the phases of the system by studying the probability distribution of the local staggered occupation 'fields' within a mean-field approach. We show that our predicted phase boundaries agree well with experimental results. (C) 2010 Elsevier B.V. All rights reserved.