Renormalization of electron self-energies via their interaction with spin excitations: A first-principles investigation

Abstract

Access to magnetic excitation spectra of single atoms deposited on surfaces is nowadays possible by means of low-temperature inelastic scanning tunneling spectroscopy. We present a first-principles method for the calculation of inelastic tunneling spectra utilizing the Korringa-Kohn-Rostoker Green function method combined with time-dependent density functional theory and many-body perturbation theory. The key quantity is the electron self-energy describing the coupling of the electrons to the spin excitation within the adsorbate. By investigating Cr, Mn, Fe and Co adatoms on a Cu(111) substrate, we spin-characterize the spectra and demonstrate that their shapes are altered by the magnetization of the adatoms, of the tip and the orbital decay into vacuum. Our method also predicts spectral features more complex than the steps obtained by simpler models for the adsorbate (e.g., localized spin models).

References in corpus (5)

• Magnetic Anisotropy and Magnetization Dynamics of Individual Atoms and Clusters of Fe and Co on Pt(111)
• Wannier-function approach to spin excitations in solids
• Beyond the GW approximation: combining correlation channels
• Spin Inelastic Electron Tunneling Spectroscopy on Local Spin Adsorbed on Surface
• Dynamical magnetic excitations of nanostructures from first-principles

Cited by in corpus (12)

• Superconducting pairing mediated by spin-fluctuations from first principles
• Relativistic dynamical spin excitations of magnetic adatoms
• Transverse dynamical magnetic susceptibilities from regular static density functional theory: Evaluation of damping and g-shifts of spin-excitations
• Correlating Josephson supercurrents and Shiba states in quantum spins unconventionally coupled to superconductors
• First-principles theory of electron-spin fluctuation coupling and superconducting instabilities in iron selenide
• Longitudinal and transverse spin relaxation times of magnetic single adatoms: an ab initio analysis
• Spin-resolved spectroscopic evidence for spinarons in Co adatoms
• Anomalous excitations of atomically crafted quantum magnets
• Tuning paramagnetic spin-excitations of single adatoms
• Non-local correlation effects due to virtual spin-flip processes in itinerant electron ferromagnets
• Spin dynamics of $3d$ and $4d$ impurities embedded in prototypical topological insulators
• Engineering elliptical spin-excitations by complex anisotropy fields in Fe adatoms and dimers on Cu(111)