Importance of Correlation Effects on Magnetic Anisotropy in Fe and Ni

Abstract

We calculate magnetic anisotropy energy of Fe and Ni by taking into account the effects of strong electronic correlations, spin-orbit coupling, and non-collinearity of intra-atomic magnetization. The LDA+U method is used and its equivalence to dynamical mean-field theory in the static limit is emphasized. Both experimental magnitude of MAE and direction of magnetization are predicted correctly near U=4 eV for Ni and U=3.5 eV for Fe. Correlations modify one-electron spectra which are now in better agreement with experiments.

4 pages, 2 figures

References in corpus (1)

• First- principle calculations of magnetic interactions in correlated systems

Cited by in corpus (42)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Spin Transfer Torques
• Correlated metals and the LDA+U method
• Inelastic X-ray Scattering by Electronic Excitations in Solids at High Pressure
• Fermi-surface calculation of the anomalous Hall conductivity
• Coulomb Correlations and Magnetic Anisotropy in ordered $L{1}_0$ CoPt and FePt alloys
• Electronic correlations at the alpha-gamma structural phase transition in paramagnetic iron
• Calculated phonon spectra of paramagnetic iron at the alpha-gamma phase transition
• Spin and orbital magnetic moments of size-selected iron, cobalt, and nickel clusters and their link to the bulk phase diagrams
• Wannier-function approach to spin excitations in solids
• Applications of DFT+DMFT in Materials Science
• Scattering-Independent Anomalous Nernst Effect in Ferromagnets
• Ab Initio Theory of Scattering-Independent Anomalous Hall Effect
• Nonlinear response of Bloch electrons in infinite dimensions
• Magnetic ground state and electron doping tuning of Curie temperature in Fe${}_3$GeTe${}_2$: first-principles studies
• Intrinsic anomalous Hall effect in nickel: An GGA+U study
• Anomalous Ferromagnetism of Monatomic Co Wire at the Pt(111) Surface Step Edge
• Electronic structure and magnetic anisotropy of CrO_2
• Orbital Polarization in Itinerant Magnets
• Magnetic properties of single atoms of Fe and Co on Ir(111) and Pt(111)
• Correlation in noncollinear antiferromagnetic $\alpha$-Mn
• Half-magnetization plateau and the origin of threefold symmetry breaking in an electrically-switchable triangular antiferromagnet
• A Tight-Binding Investigation of the NaxCoO2 Fermi Surface
• Anisotropic intrinsic anomalous Hall effect in ordered 3dPt alloys
• Many-body effects in x-ray absorption and magnetic circular dichroism spectra within the LSDA+DMFT framework
• Anomalous and spin Hall effects in hcp cobalt from GGA + U calculations
• A theoretical perspective on the modification of the magnetocrystalline anisotropy at molecule-cobalt interfaces
• DFT+U Investigation of magnetocrystalline anisotropy of Mn-doped transition-metal dichalcogenides monolayers
• Magnetocrystalline anisotropy and orbital polarization in ferromagnetic transition metals
• Electron correlation effects and ferromagnetism in Iron
• Magnetocrystalline anisotropy energy for adatoms and monolayers on non-magnetic substrates: where does it comes from?
• Correlation Driven Topological Insulator-to-Weyl Semimetal Transition in Actinide System UNiSn
• Gutzwiller-Correlated Wave Functions: Application to Ferromagnetic Nickel
• Influence of complex disorder on skew-scattering Hall effects in $L{1}_0$-ordered FePt alloy
• Absence of halfmetallicity in defect-free Cr, Mn-delta-doped Digital Magnetic Heterostructures
• LDA+DMFT Approach to Magnetocrystalline Anisotropy of Strong Magnets
• Validation of density functionals for transition metals and intermetallics using data from quantitative electron diffraction
• Role of electronic correlations in the Fermi surface formation of Na${}_x$CoO${}_2$
• Static corrections versus dynamic correlation effects in the valence band Compton profile spectra of Ni
• Construction of Localized Basis for Dynamical Mean Field Theory
• Pressure-induced collapse of ferromagnetism in Nickel
• Transverse Rashba Effect and Unconventional Magnetocrystalline Anisotropy in Double-Gd-adsorbed Zigzag Graphene Nanoribbon