Masayoshi Shimizu

First-Principles Calculations of the Magnetocrystalline Anisotropy Energy in Disordered Alloys Using Wannier-based Coherent Potential Approximation

We present a method for calculating the magnetocrystalline anisotropy energy (MAE) of disordered alloys using Green’s functions constructed from Wannier Hamiltonians within the coherent potential approximation (Wannier-CPA). The MAE of a disordered alloy system is obtained from t...