Renormalization of electron self-energies via their interaction with spin excitations: A first-principles investigation
arXiv:1406.4195 · doi:10.1103/PhysRevB.89.235439
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 (19)
- Spintronics: Fundamentals and applications
- Correlated Electrons in High Temperature Superconductors
- Unconventional sign-reversing superconductivity in LaFeAsO_(1-x)F_x
- The role of magnetic anisotropy in the Kondo effect
- Theory of single spin inelastic tunneling spectroscopy
- Magnetic Anisotropy and Magnetization Dynamics of Individual Atoms and Clusters of Fe and Co on Pt(111)
- Local control of single atom magneto-crystalline anisotropy
- Surface-State Localization at Adatoms
- 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
- Theory of Inelastic Electron Tunneling from a Localized Spin in the Impulsive Approximation
- Dynamical magnetic excitations of nanostructures from first-principles
- Theory of Local Dynamical Magnetic Susceptibilities from the Korringa-Kohn-Rostoker Green Function Method
- Renormalization of Bulk Magnetic Electron States at High Binding Energies
- Surface state scattering by adatoms on noble metals
- Anomalously large g-factor of single atoms adsorbed on a metal substrate
- Spin-flip inelastic electron tunneling spectroscopy in atomic chains
- Bias asymmetry in the conductance profile of magnetic ions on surfaces probed by scanning tunneling microscopy
Cited by in corpus (20)
- Superconducting pairing mediated by spin-fluctuations from first principles
- Electron-magnon scattering in elementary ferromagnets from first principles: lifetime broadening and band anomalies
- 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
- Transport mirages in single-molecule devices
- Correlating Josephson supercurrents and Shiba states in quantum spins unconventionally coupled to superconductors
- Electronic properties of transition metal atoms on CuN/Cu(100)
- Strong correlation effects in theoretical STM studies of magnetic adatoms
- A new view on the origin of zero-bias anomalies of Co atoms atop noble metal surfaces
- 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
- Comparing XMCD and DFT with STM spin excitation spectroscopy for Fe and Co adatoms on CuN/Cu(100)
- 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
- Zero-point quantum swing of magnetic couples
- Spin dynamics of and impurities embedded in prototypical topological insulators
- Spin-fluctuation and spin-relaxation effects of single adatoms from first principles
- Engineering elliptical spin-excitations by complex anisotropy fields in Fe adatoms and dimers on Cu(111)