From antiferromagnetic to ferromagnetic coupling for V adatoms on Co(001) substrates

T. A. Carrillo-Cázares, S. Meza-Aguilar () and C. Demangeat

The European Physical Journal B: Condensed Matter and Complex Systems, 2005, vol. 48, issue 2, 249-254

Abstract: We discuss the polarization of V atoms on Co(001) substrates within density functional calculations. For sub-monolayer coverage the coupling between V and Co is clearly of antiferromagnetic type whereas it changes to ferromagnetic coupling in the case of a full V monolayer on Co(001). The results obtained in the case of a sub-monolayer coverage are in agreement with recent X-ray magnetic circular dichroism by Huttel et al. [Phys. Rev. B 68, 174405 (2003)]. The transition from antiferromagnetic coupling (in the case of sub-monolayer coverage) to ferromagnetic coupling (for a full monolayer coverage) is discussed in terms of local coordination numbers and V-Co hybridization. Comparison with Cr and Mn coverages on Co(001) complicates the problem: i) submonolayer Cr coverage stabilizes the antiferromagnetic coupling between Cr and Co atoms (like for V on Co(001) whereas a Cr monolayer on Co presents in-plane antiferromagnetic coupling; ii) submonolayer Mn coverage stabilizes now the ferromagnetic coupling between Mn and Co whereas a Mn monolayer on Co(001) presents an in-plane antiferromagnetic coupling. Competition between Co induced magnetism and surface induced magnetism at V sites is discussed. Copyright EDP Sciences/Società Italiana di Fisica/Springer-Verlag 2005

Date: 2005
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DOI: 10.1140/epjb/e2005-00388-7

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