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Electronic and magnetic properties of disordered Fe-Cr alloys using different electronic structure methods
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science.
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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
Abstract [en]

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.
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Physical Sciences
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URN: urn:nbn:se:uu:diva-141956DOI: 10.1088/0953-8984/20/44/445201ISI: 000260028500009OAI: oai:DiVA.org:uu-141956DiVA: diva2:386713
Available from: 2011-01-13 Created: 2011-01-13 Last updated: 2017-12-11Bibliographically approved

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Tarafder, KartickSanyal, BiplabEriksson, Olle

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