Initio approach for atomic relaxation in supported magnetic clusters

  • V. S. STEPANYUKa, A. L. KLAVSYUKb, L. NIEBERGALLa, A. M. SALETSKYc, W. HERGERTb, P. BRUNOa
  • Published 2004

Abstract

We present a newly developed scheme for atomic relaxations of magnetic supported clusters. Our approach is based on the full potential Korringa– Kohn–Rostoker Green’s function method and the second moment tightbinding approximation for many-body potentials. We demonstrate that only a few iterations in ab initio calculations are necessary to find an… (More)

6 Figures and Tables

Topics

  • Presentations referencing similar topics