Renormalized Spectral Function for Co Adatom on the Pt(111) Surface

Abstract

The strong Coulomb correlations effects in the electronic structure of magnetic Co adatom on the Pt(111) surface have been investigated. Using a realistic five d -orbital impurity Anderson model at low temperatures with parameters determined from first-principles calculations we found a striking change in the electronic structure in comparison with the local density approximation results. The spectral function calculated with full rotationally invariant Coulomb interaction is in good agreement with the quasiparticle region of the scanning tunneling spectroscopy conductance spectrum. Using the calculated spin-spin correlation functions we have analyzed the formation of the magnetic moments of the Co impurity orbitals. © 2010 The American Physical Society.