First-principles Calculation of the Single Impurity Surface Kondo Resonance

Abstract

We have performed first-principles calculation of the surface and bulk wavefunctions of the Cu(111) surface and their hybridization energies to a Co adatom, including the potential scattering from the Co. By analyzing the calculated hybridization energies, we found the bulk states dominate the contribution to the Kondo temperature, in agreement with recent experiments. Furthermore, we also calculate the tunneling conductance of a scanning tunneling microscope (STM) and compare our results with recent experiments of Co impurities in the Cu(111) surface. Good quantitative agreement is found at short parallel impurity-tip distances (< 6 A). Our results indicate the need for a new formulation of the problem at larger distances.

4 pages, 3 figures

References in corpus (7)

• Theory of the Fano Resonance in the STM Tunneling Density of States due to a Single Kondo Impurity
• Theory of Quantum Corrals and Quantum Mirages
• Nonequilibrium theory of scanning tunneling spectroscopy via adsorbate resonances: nonmagnetic and Kondo impurities
• Projecting the Kondo Effect: Theory of the Quantum Mirage
• Microscopic theory for quantum mirages in quantum corrals
• Role of surface states in STM spectroscopy of (111) metal surfaces with Kondo adsorbates
• Microscopic Theory of the Single Impurity Surface Kondo Resonance

Cited by in corpus (24)

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• Controlling the Kondo Effect in CoCu_n Clusters Atom by Atom
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• Many-body electronic structure and Kondo properties of cobalt-porphyrin molecules
• Relevance of complete Coulomb interaction matrix for the Kondo problem: Co impurity on Cu(111)
• Orbital signatures of Fano-Kondo line shapes in STM adatom spectroscopy
• Quasiparticle interference from magnetic impurities
• Co adatoms on Cu surfaces: ballistic conductance and Kondo temperature
• Multiple magnetic impurities on surfaces: Scattering and quasiparticle interference
• Spin-polarized tunneling microscopy and the Kondo effect
• Excitation spectra of transition metal atoms on the Ag (100) surface controlled by Hund's exchange
• Spin-resolved spectroscopic evidence for spinarons in Co adatoms
• Theory of differential conductance of Co on Cu(111) including Co s and d orbitals, and surface and bulk Cu states
• Surface states influence in the conductance spectra of Co adsorbed on Cu(111)
• Topological quantum phase transition in individual Fe Atoms on MoS${}_2$/Au(111)
• Fano interference and a slight fluctuation of the Majorana hallmark
• Scanning tunneling microscopy of adsorbed molecules on metalic surfaces for nearly localized atomic states
• NRG calculations of the ground-state energy: application to the correlation effects in the adsorption of magnetic impurities on metal surfaces
• Non-perturbative effects and indirect exchange interaction between quantum impurities on metallic (111) surfaces
• Towards a microscopic description of dimer adsorbates on metallic surfaces
• The graphene sheet versus the 2DEG: a relativistic Fano spin-filter via STM and AFM tips
• Effect of Inter-Adatoms Correlations on the Local Density of States of Graphene
• Fano fingerprints of Majoranas in Kitaev dimers of superconducting adatoms
• Dimensionality effects in the LDOS of ferromagnetic hosts probed via STM: spin-polarized quantum beats and spin filtering