Electronic and magnetic properties of disordered Fe-Cr alloys using different electronic structure methods
2008 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 20, no 44, 445201- p.Article, review/survey (Refereed) Published
In this paper we have studied the electronic structure of bcc FexCr1-x alloys in the ferromagnetic phase using three different techniques: augmented space recursion coupled with tight-binding linearized muffin-tin orbitals (TB-LMTO-ASR), the coherent potential approximation based on the Korringa-Kohn-Rostocker method (KKR-CPA) and the special quasi-random structure technique linked with the projector augmented wave (PAW-SQS). The aim was to provide a comparison between the different methods and examine their strengths and weaknesses vis-a-vis one another.
Place, publisher, year, edition, pages
2008. Vol. 20, no 44, 445201- p.
IdentifiersURN: urn:nbn:se:uu:diva-141956DOI: 10.1088/0953-8984/20/44/445201ISI: 000260028500009OAI: oai:DiVA.org:uu-141956DiVA: diva2:386713