The Magnetism and Electronic Structures of Rh Monolayer

Abstract

Recent Auger electron spectroscopy experiment suggested the possibility of magnetism in Rh overlayer on Cu(001). This experimental result was verified by our theoretical study on Rh monolayer on Cu(001). However the calculated total energy difference between para- and ferromagnetic states was found to be very small and it calls for the investigation of another state, i. e., the antiferromagnetic state. The dependence of total energies on the lattice constant was calculated for three magnetic states, i. e., para-, ferro-, and antiferromagnetic ones. It was found that there is no meaningful energy difference between para- and antiferromagnetic states for all the lattice constant. The ferromagnetic state is most stable compared to other states for the lattice constant greater than 6.68 a.u. The energy minima was found at the lattice constant of 6.57 a.u. where it is paramagnetic.