Non-collinear magnetisation of V clusters supported on a Cu (111) surface : Theory

摘要: A first-principles linear scaling real-space method for investigating non-collinear magnetic behaviour of nanostructured materials has been developed. With this method, the structures small supported transition metal clusters have examined. The geometric constraints imposed on by underlying surface is found to cause V, Cr, and Mn Cu(111). Fe Cu Ni studied both spin orbital moments are be enhanced atoms, which attributed recuced symmetry present at surface. Atoms in Co order antiferromagnetically, some times a fasion, when deposited W Small fcc embedded examined new type ordering, not larger systems was found. Several theoretical studies based nanostructures consisting multilayers or conducted, with aim predicting high moment use data storage applications. In agreement previous experiments an enhancement compared bcc Fe. shown caused increased atoms close proximity depends number neighbours. As result these studies, possible increasing cluster proposed. Fermi analysis performed bulk materials, investigate mechanisms stabilizing states, layered where effect interlayer exchange coupling investigated. addition development electronic structure magnetism, density matrix purification implemented framework muffin-tin orbitals.