Orbital magnetism in transition-metal systems: The role of local correlation effects

Abstract

The influence of correlation effects on the orbital moments for transition metals and their alloys is studied by first-principle relativistic Density Functional Theory in combination with the Dynamical Mean-Field Theory. In contrast to the previous studies based on the orbital polarization corrections we obtain an improved description of the orbital moments for wide range of studied systems as bulk Fe, Co and Ni, Fe-Co disordered alloys and 3$d$ impurities in Au. The proposed scheme can give simultaneously a correct dynamical description of the spectral function as well as static magnetic properties of correlated disordered metals.

arXiv commentEPL accepted

References in corpus (9)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• First principles approach to the electronic structure of strongly correlated systems: combining GW and DMFT
• Theory of quasiparticle spectra for Fe, Co, and Ni: bulk and surface
• Multiple scattering formalism for correlated systems: A KKR+DMFT approach
• Electronic structure and magnetic properties of correlated metals: A local self-consistent perturbation scheme
• Fermi Surface and Electron Correlation Effects of Ferromagnetic Iron
• Orbital Polarization in Itinerant Magnets
• Infuence of correlation effects on the of magneto-optical properties of half-metallic ferromagnet NiMnSb
• Observation and theoretical description of the pure Fano-effect in the valence-band photo-emission of ferromagnets

Cited by in corpus (20)

• Ultra-low magnetic damping of a metallic ferromagnet
• About the strength of correlation effects in the electronic structure of iron
• Calculated phonon spectra of paramagnetic iron at the alpha-gamma phase transition
• Correlation effects in total energy of transition metals and related properties
• Magnetic properties of (Fe${}_{1-x}$Co${}_x$)${}_2$B alloys and the effect of doping by 5$d$ elements
• Magnetic properties of ultra-thin 3d transition-metal binary alloys I: spin and orbital moments, anisotropy, and confirmation of Slater-Pauling behavior
• Computation of correlation-induced atomic displacements and structural transformations in paramagnetic KCuF3 and LaMnO3
• Electron correlations in Co${}_2$Mn${}_{1-x}$Fe${}_x$Si Heusler compounds
• Dynamical mean-field approach to materials with strong electronic correlations
• Surface spin polarization of the non-stoichiometric Heusler compound Co2Mn(alpha)Si
• Relevance of complete Coulomb interaction matrix for the Kondo problem: Co impurity on Cu(111)
• Quantum Renormalization of the Spin Hall Effect
• A detailed electronic structure study of Vanadium metal by using different beyond-DFT methods
• Many-body effects in x-ray absorption and magnetic circular dichroism spectra within the LSDA+DMFT framework
• Co monolayers and adatoms on Pd(100), Pd(111) and Pd(110): Anisotropy of magnetic properties
• LDA+DMFT Approach to Magnetocrystalline Anisotropy of Strong Magnets
• Orbital magnetic moment and extrinsic spin Hall effect for iron impurity in gold
• Pressure-induced collapse of ferromagnetism in Nickel
• Exploring strong electronic correlations in the breathing kagome metal Fe${}_3$Sn
• One step model of photo-emission at finite temperatures: spin fluctuations of Fe(001)