Magnetic properties of Fe chains on Cu_2N/Cu(100): A density functional theory study

摘要

We present a density functional study of the magnetic properties of Fe adatoms on Cu_2N/Cu(100) surface. The magnetic anisotropy energies of a single Fe atom are in excellent agreement with the available experiments. Our results for the spin densities and exchange coupling strengths for Fe dimer and trimer establish antiferromagnetic configuration to be the ground state due to predominant superexchange interaction mediated by nitrogen atoms in this system.