how to calculate the energy of the disordered local moment for the doped system

Posted on : July 17, 2007 (Tue) 21:45:24

by phyfsw

I have read some papers (J. Phys.: Condens. Matter 16 (2004) S5491亡5497) about based on the local density approximation (LDA) and using the RKK (MACHIKANEYAMA2000 code) method in connection with the coherent potential approximation (CPA) are perform to calculate the energy for two magnetic states, such as ferromagnetic state and the disordered local moment (DLM) or spin-glass state for doped system (Mn doped GaN). I want to know how to choose the parameters in the readin file for these magnetic states calculation.