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Ab initio investigations of surface magnetism in V-Mo
Department of Theoretical Physics, Moscow Stt. Inst. of Stl. and Alloys, Leninskii prospect 4, Moscow 119991, Russian Federation.
Department of Theoretical Physics, Moscow Stt. Inst. of Stl. and Alloys, Leninskii prospect 4, Moscow 119991, Russian Federation.
Department of Physics, Uppsala University, Uppsala SE-751 21, Sweden, Department of Theoretical Physics, University of Nijmegen, Nijmegen 6500 GL, Netherlands.
Department of Theoretical Physics, Moscow Stt. Inst. of Stl. and Alloys, Leninskii prospect 4, Moscow 119991, Russian Federation.
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2004 (English)In: Journal of Magnetism and Magnetic Materials, ISSN 0304-8853, E-ISSN 1873-4766, Vol. 272-276, 1198-1200 p.Article in journal (Refereed) Published
Abstract [en]

Magnetic properties of the (0 0 1) surface of pure vanadium and disordered binary Mo-V alloys have been investigated from the first-principles by means of the LMTO-GF-CPA technique, the fixed spin moment method, and the direct exchange Monte-Carlo statistical mechanics simulations. The binary alloys, as well as pure constituent metals, are nonmagnetic in the bulk. However, we have shown that the (1 0 0) surface of uniformly random and segregated Mo-V alloys is magnetic. The magnetism of the V monolayer on the Mo(0 0 1) surface has also been studied. In particular, the surface relaxation effect has resulted in a reduction of the magnetic moments for V atoms, but the surface magnetism is still present in the system. Including of semi-core states as valence ones does not alter this conclusion. © 2004 Elsevier B.V. All rights reserved.

Place, publisher, year, edition, pages
2004. Vol. 272-276, 1198-1200 p.
Keyword [en]
Magnetism, Random alloy, Segregation
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:liu:diva-45763DOI: 10.1016/j.jmmm.2003.12.045OAI: oai:DiVA.org:liu-45763DiVA: diva2:266659
Available from: 2009-10-11 Created: 2009-10-11 Last updated: 2017-12-13

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Abrikosov, Igor

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