Eur. Phys. J. B 48, 249-254 (2005)
https://doi.org/10.1140/epjb/e2005-00388-7

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

¹ Escuela de Ciencias Fisico-Matemáticas, Universidad Autónoma de Sinaloa, Bldv. de las Americas y Universitarios, Ciudad Universitaria, Culiacán Sinaloa, CP 80010, México
² Institut de Physique et Chimie des Matériaux de Strasbourg, 23 rue du Loess, 63034 Strasbourg Cedex 2, France

Corresponding author: ^a smeza@uas.uasnet.mx

Received: 27 April 2005
Revised: 6 September 2005
Published online: 16 December 2005

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.