Magnetism of Ni overlayers on Fe(111)

Abstract

The magnetism and electronic structure of Ni/Fe(111) overlayer systems are explored within the ab-initio tight-binding linear muffin-tin orbital method in the atomic sphere approximation (TB-LMTO ASA). Surface formation energies and layer-resolved magnetic moments are calculated for Fe slabs with increased number of monolayers (MLs) and can be represented by at least 17 MLs.

The influence of hydrogen on the electronic and magnetic structures of TM(001) (TM=Fe, Co, Ni, and Cu) surfaces and interfaces: Ab-initio calculations

“…The properties of the surface atoms differ from those in the bulk due to the reduction in the coordination number of the surface. This produces a change in magnetization and Fermi-level of nanosized materials [3][4][5]. The growth of Fe, Co, and Ni films on Cu(0 0 1) substrate is found to be pseudomorphic because of the small lattice misfits that slightly increase the interatomic spacing of Fe, Co, and Ni along with a small tetragonal distortion [6][7][8] upon adsorption on Cu(0 0 1) surface.…”