9 research outputs found
Complex Magnetism of Iron Monolayers on Hexagonal Transition Metal Surfaces from First Principles
Using first-principles calculations, we demonstrate that an Fe monolayer can assume very different magnetic phases on hcp (0001) and fcc (111) surfaces of 4d- and 5d-transition metals. Due to the substrates' d-band filling, the nearest-neighbor exchange coupling of Fe changes gradually from antiferromagnetic (AFM) for Fe films on Tc, Re, Ru, and Os to ferromagnetic on Rh, Ir, Pd, and Pt. In combination with the topological frustration on the triangular lattice of these surfaces the AFM coupling results in a 120 degrees Neel structure for Fe on Re and Ru and an unexpected double-row-wise AFM structure on Rh, which is a superposition of left- and right-rotating 90 degrees spin spirals
Maximally-localized Wannier functions within the FLAPW method applied to ballistic transport in thin metallic wires
Complex magnetism of iron monolayers on hexagonal transition metal surfaces from first principles
Discovery and characterization of a new type of domain wall in a row-wise antiferromagnet
Spin-Polarized Electron Transport Across Metal–Organic Molecules: A Density Functional Theory Approach
Magnetic Surfaces, Thin Films and Nanostructures
Kinetics and Thermodynamics at Surfaces -- Surface Crystallography -- Electronic Structure of Surfaces -- Collective and Single Particle Excitations. - Surface Magnetism -- Lattice Dynamics -- Gas Surface Interaction. - Chemical Reactions at Surfaces -- Current topics in surface scienc