Electronic, magnetic and optical properties of random Fe-Cr alloys

Details Electronic, magnetic and optical properties of random Fe-Cr alloys Electronic, magnetic and optical properties of random Fe-Cr alloys

2007-06-07

arxiv.org/abs/0706.1023v2

Physics

Condensed Matter

Disordered Systems and Neural Networks

13 pages 11 figures

Scientific paper

In this communication we have studied the electronic structure, magnetic and optical properties of bcc \fecr alloys in the ferromagnetic phase. We have used the augmented space recursion technique coupled with tight-binding linearized muffin-tin orbital technique (TB-LMTO-ASR) as well as the coherent-potential approximation based on the Korringa-Kohn-Rostocker method (KKR-CPA). Also the plane wave projector augmented wave (PAW) method has been used with the disorder simulated by the special quasi-random structure method f or configuration averaging (SQS). This was to provide a comparison between the different methods in common use for random alloys. Moreover, using the self-consistent potential parameters from TB-LMTO-ASR ca lculations we obtained the spin resolved optical conductivity using the generalized recursion technique proposed by M\"uller and Vishwanathan.

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