Study of optical response in disordered alloys using the generalized recursion in augmented space: Application to ferromagnetic FeCo alloy

摘要

We propose and briefly describe the generalized recursion in augmented space using a minimal TB-LMTO basis set for the calculation of configuration averaged current response functions in disordered binary alloys. Since disorder in the current terms is off-diagonal and non-separable, single-site mean-field approaches are unable to deal with it without further approximations. The augmented space approach is ideally suited for such situations and the generalized recursion proposed by Viswanath and Müller provides a fast and accurate O(N) technique for the actual calculations of the configuration averaged susceptibilities. We have applied the method to the disordered FeCo alloy. The results agree reasonably well with available experimental data on ordered versions of both the alloy systems, with extra broadening due to disorder induced lifetime effects.