POSSIBILITY OF A FERROMAGNETIC RH(001) SURFACE - A PLANE-WAVE-BASIS PARTIAL-CORE PSEUDOPOTENTIAL APPROACH

Abstract

The possibility of ferromagnetism on the Rh(001) surface is examined using the partial-core pseudopotential scheme within local-density approximation. The present fixed-spin-moment magnetic calculations find that the total energy of Rh(001) increases monotonically as a function of the magnetic moment; i.e., the ferromagnetic phase is energetically unstable. This result, in agreement with a recent full-potential linear-augmented-plane-wave calculation, does not support the previous pseudopotential prediction of a strongly ferromagnetic Rh(001) surface.