Ab initio investigations of surface magnetism in V-Mo
2004 (English)In: Journal of Magnetism and Magnetic Materials, ISSN 0304-8853, Vol. 272-276, 1198-1200 p.Article in journal (Refereed) Published
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.
Place, publisher, year, edition, pages
2004. Vol. 272-276, 1198-1200 p.
magnetism, random alloy, segregation, v(001) surface, binary-alloys, total-energy, vanadium
IdentifiersURN: urn:nbn:se:kth:diva-23526DOI: 10.1016/j.jmmm.2003.12.045ISI: 000222236700192ScopusID: 2-s2.0-2642563841OAI: oai:DiVA.org:kth-23526DiVA: diva2:342224
QC 20100525 QC 201110202010-08-102010-08-102011-10-20Bibliographically approved