Ab initio investigations of surface magnetism in V-MoShow others and affiliations
2004 (English)In: Journal of Magnetism and Magnetic Materials, ISSN 0304-8853, E-ISSN 1873-4766, Vol. 272-276, p. 1198-1200Article 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, p. 1198-1200
Keywords [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, id: diva2:266659
2009-10-112009-10-112024-01-08