Magnetism in V/Co(0001) hcp interfaces: Density functional calculations

• Published in: Surface science Vol. 605; no. 17; pp. 1738 - 1746
• Main Authors: Leyva-Lucero, M.A., Félix-Medina, R.E., Meza-Aguilar, S., Demangeat, C.
• Format: Journal Article
• Language: English
• Published: Kidlington Elsevier B.V 01.09.2011; Elsevier
• Subjects: Adsorption; Close packed lattices; Condensed matter: electronic structure, electrical, magnetic, and optical properties; Condensed matter: structure, mechanical and thermal properties; Cross-disciplinary physics: materials science; rheology; Density; Density functional theory; Exact sciences and technology; Ground state; Interface; Layer; Magnetic moment; Magnetic order; Magnetic properties; Magnetism; Mathematical analysis; Physics; Structure; Adsorption; Magnetic order; Structure; Layer; V; Interface; Ground states; Magnetic moments; Hybridization; Structure relaxation; Local structure; Density functional method; Adatoms; Magnetic structure; Magnetism; HCP lattices
• ISSN: 0039-6028; 1879-2758
• DOI: 10.1016/j.susc.2011.06.011

We investigate the magnetic properties of V/Co interfacial systems and adatoms within the density functional theory taking into account the structural relaxation. The hybridization between the V and Co orbitals results in a V magnetic moment induced by the surrounding Co atoms. The ground state V magnetic moment magnitudes range from ~ 0 to 2.17 μB/atom depending on the specific local environment. ► DFT determination of the magnetic map of V overlayers, adatoms and V–Co alloys on Co(0001). ► Induced polarization of V is small and limited to a few overlayers. ► The V adatom is preferentially located at hcp site. ► High induced polarization is obtained for V adatoms and V–Co alloys. ► Partial agreement with MEIS and XMCD is obtained.