Renormalized spectral function for Co adatom on the Pt(111) surface
V.V. Mazurenko, S.N. Iskakov, A.N. Rudenko, V.I. Anisimov, A.I., Lichtenstein
TL;DR
This study investigates the electronic structure of a Co adatom on Pt(111) surface, revealing significant Coulomb correlation effects and aligning spectral functions with experimental STM data.
Contribution
It introduces a realistic five d-orbital impurity Anderson model with parameters from first-principles calculations to analyze Coulomb effects.
Findings
Spectral function matches STM quasiparticle spectra.
Strong Coulomb correlations significantly alter electronic structure.
Magnetic moments formation analyzed via spin-spin correlations.
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 of the electronic structure in comparison with the LDA results. The spectral function calculated with full rotationally invariant Coulomb interaction is in good agreement with the quasiparticle region of the STM conductance spectrum. Using the calculated spin-spin correlation functions we have analyzed the formation of the magnetic moments of the Co impurity orbitals.
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