Electronic structure and magnetic properties of correlated metals: A local self-consistent perturbation scheme

Abstract

In the framework of ab initio dynamical mean field theory for realistic electronic structure calculations a new perturbation scheme which combine the T-matrix and fluctuating exchange approximations has been proposed. This method is less computationally expensive than numerically exact quantum Monte Carlo technics and give an adequate description of the electronic structure and exchange interactions for magnetic metals. We discuss a simple expression for the exchange interactions corresponding to the neglecting of the vertex corrections which becomes exact for the spin-wave stiffness in the local approximation. Electronic structure, correlation effects and exchange interactions for ferromagnetic nickel have been discussed.

10 pages, 2 figures

References in corpus (1)

• Electronic structure and magnetic properties of correlated metals: A local self-consistent perturbation scheme

Cited by in corpus (77)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Half-metallic ferromagnets: From band structure to many-body effects
• 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
• Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: methodology and applications
• Non-quasiparticle states in Co${}_2$MnSi evidenced through magnetic tunnel junction spectroscopy measurements
• Nonquasiparticle states in half-metallic ferromagnet NiMnSb
• Microscopic origin of Heisenberg and non-Heisenberg exchange interactions in ferromagnetic bcc Fe
• Wannier-function approach to spin excitations in solids
• Beyond the GW approximation: combining correlation channels
• Correlation effects in total energy of transition metals and related properties
• Magnetic susceptibility, exchange interactions and spin-wave spectra in the local spin density approximation
• Correlated band theory of spin and orbital contributions to Dzyaloshinskii-Moriya interactions
• Electron Correlations and the Minority-Spin Band Gap in Half-Metallic Heusler Alloys
• Ultrafast Quenching of the Exchange Interaction in a Mott Insulator
• Ab initio electronic structure calculation of correlated systems: EMTO-DMFT approach
• Orbital magnetism in transition-metal systems: The role of local correlation effects
• Electron correlations in Co${}_2$Mn${}_{1-x}$Fe${}_x$Si Heusler compounds
• An dynamical-mean-field-theory investigation of specific heat and electronic structure of $\alpha$ and $\delta$-plutonium
• Connections and performances of Green's function methods for charged and neutral excitations
• Exact Diagonalization Dynamical Mean Field Theory for Multi-Band Materials: Effect of Coulomb correlations on the Fermi surface of Na_0.3CoO_2
• Surface spin polarization of the non-stoichiometric Heusler compound Co2Mn(alpha)Si
• Effect of spin orbit coupling and Hubbard $U$ on the electronic structure of IrO${}_2$
• Magnetism of iron and nickel from rotationally invariant Hirsch-Fye quantum Monte Carlo calculations
• Heisenberg and anisotropic exchange interactions in magnetic materials with correlated electronic structure and significant spin-orbit coupling
• Quantitative determination of spin-dependent quasiparticle lifetimes and electronic correlations in hcp cobalt
• Non-equilibrium magnetic interactions in strongly correlated systems
• Tunable spin transport in CrAs: role of correlation effects
• Relevance of complete Coulomb interaction matrix for the Kondo problem: Co impurity on Cu(111)
• Half-metallic ferromagnetism induced by dynamic electron correlations in VAs
• Correlated electronic structure and chemical bonding of Ce pnictides and gamma-Ce
• Valence-band satellite in the ferromagnetic nickel: LDA+DMFT study with exact diagonalization
• The two-loop functional renormalization-group approach to the one- and two-dimensional Hubbard model
• Correlation effects in electronic structure of PuCoGa5
• Reference Energies for Valence Ionizations and Satellite Transitions
• A similarity renormalization group approach to Green's function methods
• Infuence of correlation effects on the of magneto-optical properties of half-metallic ferromagnet NiMnSb
• Magnetic interactions in strongly correlated systems: spin and orbital contributions
• First principles studies of the Gilbert damping and exchange interactions for half-metallic Heuslers alloys
• Static and Dynamic Bethe-Salpeter Equations in the $T$-Matrix Approximation
• Half-metallicity in NiMnSb: a Variational Cluster Approach with ab-initio parameters
• Total energies from variational functionals of the Green function and the renormalized four-point vertex
• Majority-spin non-quasiparticle states in half-metallic ferrimagnet Mn${}_2$VAl
• Transmission through correlated Cu${}_n$CoCu${}_n$ heterostructures
• Observation and theoretical description of the pure Fano-effect in the valence-band photo-emission of ferromagnets
• Half-metallicity and magnetism in the Co${}_2$MnAl/CoMnVAl heterostructure
• The electronic structure of palladium in the presence of many-body effects
• gamma-Mn at the border between weak and strong correlations
• Magnetic Compton profiles of Fe and Ni corrected by dynamical electron correlations
• Exchange interactions from a nonorthogonal basis set: from bulk ferromagnets to the magnetism in low-dimensional graphene systems
• Electronic structure and magnetism in UGa2: DFT+DMFT approach
• Anomalous propagators and the particle-particle channel: Hedin's equations
• Dynamical Mean-Field Theory for spin-dependent electron transport in spin-valve devices
• A DMI guide to magnets micro-world
• The DFT+${\Sigma }_2$ method for electron correlation effects at transition metal surfaces
• Electronic correlations in short period (CrAs)${}_n$/(GaAs)${}_n$ ferromagnetic heterostructures
• Analytic continuation-free Green's function approach to correlated electronic structure calculations
• Non-equilibrium itinerant-electron magnetism: a time-dependent mean-field theory
• Absence of halfmetallicity in defect-free Cr, Mn-delta-doped Digital Magnetic Heterostructures
• Correlated electronic structure with uncorrelated disorder
• Spin and orbital exchange interactions from Dynamical Mean Field Theory
• Momentum space anisotropy of electronic correlations in Fe and Ni - an analysis of magnetic Compton profiles
• Spin-polarized ballistic conduction through correlated Au-NiMnSb-Au heterostructures
• Magnetism in AV3Sb5 (Cs, Rb, K): Origin and Consequences for the Strongly Correlated Phases
• Magnetic Compton profiles of disordered Fe${}_{0.5}$Ni${}_{0.5}$ and ordered FeNi alloys
• Static corrections versus dynamic correlation effects in the valence band Compton profile spectra of Ni
• Strong spin dependence of correlation effects in Ni due to Stoner excitations
• Ab-initio calculations of the optical and magneto-optical properties of moderately correlated systems: accounting for correlation effects
• Magnetic Compton profiles of Ni beyond the one-particle picture: numerically exact and perturbative solvers of dynamical mean-field theory
• Role of temperature-dependent spin model parameters in ultra-fast magnetization dynamics
• One step model of photo-emission at finite temperatures: spin fluctuations of Fe(001)
• Exploring strong electronic correlations in the breathing kagome metal Fe${}_3$Sn
• On the origin of the quasi-particle peak in Cr(001) surfaces
• Nonquasiparticle states in half-metallic ferromagnets
• Faddeev Random Phase Approximation applied to molecules
• Automated evaluation of imaginary time strong coupling diagrams by sum-of-exponentials hybridization fitting