Local magnetic moments in iron and nickel at ambient and Earth's core conditions

Abstract

Some Bravais lattices have a particular geometry that can slow down the motion of Bloch electrons by pre-localization due to the band-structure properties. Another known source of electronic localization in solids is the Coulomb repulsion in partially filled d- or f-orbitals, which leads to the formation of local magnetic moments. The combination of these two effects is usually considered of little relevance to strongly correlated materials. Here we show that it represents, instead, the underlying physical mechanism in two of the most important ferromagnets: nickel and iron. In nickel, the van Hove singularity has an unexpected impact on the magnetism. As a result, the electron-electron scattering rate is linear in temperature, in violation of the conventional Landau theory of metals. This is true even at Earth's core pressures, at which iron is instead a good Fermi liquid. The importance of nickel in models of geomagnetism may have therefore to be reconsidered.

arXiv commentSupplementary Information available at https://www.nature.com/articles/ncomms16062#supplementary-information

References in corpus (30)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Continuous-time Monte Carlo methods for quantum impurity models
• Thermal and electrical conductivity of iron at Earth's core conditions
• Quasiparticle self-consistent $GW$ method; a basis for the independent-particle approximation
• First principles approach to the electronic structure of strongly correlated systems: combining GW and DMFT
• Ferromagnetism in the Hubbard Model-- Examples from Models with Degenerate Single-Electron Ground States
• Effective Coulomb interaction in transition metals from constrained random-phase approximation
• Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals
• Coherence scale of the Kondo lattice
• Microscopic conditions favoring itinerant ferromagnetism: Hund's rule coupling and orbital degeneracy
• Double Counting in LDA+DMFT - The Example of NiO
• Ferromagnetism in the Hubbard Model on fcc-type lattices
• Dichotomy between large local and small ordered magnetic moment in Iron-based superconductors
• Electronic correlations at the alpha-gamma structural phase transition in paramagnetic iron
• About the strength of correlation effects in the electronic structure of iron
• Microscopic conditions favoring itinerant ferromagnetism
• Kondo resonance narrowing in d- and f-electron systems
• Conserved quantities of SU(2)-invariant interactions for correlated fermions and the advantages for quantum Monte Carlo simulations
• Orbital selective local moment formation in iron: first principle route to an effective model
• Quantum dynamical screening of the local magnetic moment in Fe-based superconductors
• General DFT++ method implemented with projector augmented waves: Electronic structure of SrVO${}_3$ and the Mott Transition in Ca${}_{2-x}$Sr${}_x$RuO${}_4$
• Self-energies in itinerant magnets: A focus on Fe and Ni
• Electronic properties and magnetism of iron at the Earth's inner core conditions
• Magnetism of iron and nickel from rotationally invariant Hirsch-Fye quantum Monte Carlo calculations
• Poor Man's Understanding of Kinks Originating from Strong Electronic Correlations
• Ferromagnetism and correlation strength in cubic barium ruthenate in comparison to strontium and calcium ruthenate: a dynamical mean field study
• QSGW+DMFT: an electronic structure scheme for the iron pnictides and beyond
• Nonlocal correlations in the vicinity of the $\alpha$-$\gamma$ phase transition in iron within a DMFT plus spin-fermion model approach
• Electronic correlations in Fe at Earth's inner core conditions: effect of doping with Ni
• Quasi-particle bands and structural phase transition of iron from Gutzwiller Density-Functional Theory

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• Polarized phonons carry the missing angular momentum in femtosecond demagnetization
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• Induced magnetic two-dimensionality by hole doping in the superconducting infinite-layer nickelate Nd${}_{1-x}$Sr${}_x$NiO${}_2$
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• Thermoelectricity in correlated narrow-gap semiconductors
• Analytical investigation of singularities in two-particle irreducible vertex functions of the Hubbard atom
• Quantitative functional renormalization-group description of the two-dimensional Hubbard model
• Ultrafast demagnetization dynamics in Ni: role of electron correlations
• Ab initio results for the plasmon dispersion and damping of the warm dense electron gas
• Observation of tunable single-atom Yu-Shiba-Rusinov states
• Interplay between local response and vertex divergences in many-fermion systems with on-site attraction
• Heterogeneous Ta-dichalcogenide bilayer: heavy fermions or doped Mott physics?
• Random Phase Approximation for gapped systems: role of vertex corrections and applicability of the constrained random phase approximation
• Electronic correlations and transport in iron at Earth's core conditions
• Characteristic Timescales of the Local Moment Dynamics in Hund's-metals
• Spectral functions of Sr${}_2$IrO${}_4$: theory versus experiment
• The dynamical vertex approximation for many-electron systems with spontaneously broken SU(2)-symmetry
• Momentum-dependent susceptibilities and magnetic exchange in bcc iron from supercell DMFT calculations
• Rigorous screened interactions for realistic correlated electron systems
• Temperature and doping induced instabilities of the repulsive Hubbard model on Lieb lattice
• State- and superstate-sampling in hybridization-expansion continuous-time quantum Monte Carlo
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• Local magnetic moment formation and Kondo screening in the half filled two dimensional single band Hubbard model
• Unconventional slowing down of electronic recovery in photoexcited charge-ordered La${}_{1/3}$Sr${}_{2/3}$FeO${}_3$
• Dynamical mean-field study of Vanadium diselenide monolayer ferromagnetism
• Dynamical Mean-Field Theory of Strongly Correlated Electron Systems
• Exchange interactions in iron and nickel: DFT+DMFT study in paramagnetic phase
• Extracting Kondo temperature of strongly-correlated systems from the inverse local magnetic susceptibility
• Magnetization, d-wave superconductivity and non-Fermi liquid behavior in a crossover from dispersive to flat bands
• Kagome metals
• Correlation-temperature phase diagram of prototypical infinite layer rare earth nickelates
• Kondo screening in Co adatoms with full Coulomb interaction
• Transition from Pauli paramagnetism to Curie-Weiss behaviour in vanadium
• Effect of density of states peculiarities on Hund's metal behavior
• DFT+DMFT study of exchange interactions in cobalt and their implications for the competition of hcp and fcc phases
• Giant van Hove Density of States Singularities and Anomalies of Electron and Magnetic Properties in Cubic Lattices
• Itinerant magnetism of chromium under pressure: a DFT+DMFT study
• Electronic correlations, spectral and magnetic properties of ZrZn${}_2$
• Electronic correlations in dense iron: from moderate pressure to Earth's core conditions
• Resistivity Exponents in 3D-Dirac Semimetals From Electron-Electron Interaction
• Giant density-of-states van Hove singularities in the face-centered cubic lattice
• Electron Spectrum Topology and Giant Density-of-States Singularities in Cubic Lattices
• Finite-temperature phase diagram of (111) nickelate bilayers
• Electronic correlation effects and local magnetic moments in L1${}_0$ phase of FeNi
• Magnetic properties of half metal from the paramagnetic phase: DFT+DMFT study of exchange interactions in CrO${}_2$
• Magnetic exchange and susceptibilities in fcc iron: A supercell dynamical mean-field theory study
• Magnetic fluctuations and superconducting pairing in $\epsilon$-iron
• Dual Bethe-Salpeter equation for the multi-orbital lattice susceptibility within dynamical mean-field theory
• MXene Fe2C as a promising candidate for the 2D XY ferromagnet
• Larmor precession in strongly correlated itinerant electron systems
• Ferromagnetic instability in itinerant fcc lattice electron systems with higher order van Hove singularities: Functional renormalization group study
• Impact of Electronic Correlations on High-Pressure Iron: Insights from Time-Dependent Density Functional Theory
• General Shiba mapping for on-site four-point correlation functions
• Suppression and revival of long-range ferromagnetic order in the multiorbital Fermi-Hubbard model
• Magnetic Compton profiles of Ni beyond the one-particle picture: numerically exact and perturbative solvers of dynamical mean-field theory
• Dynamical mean-field theory study of a ferromagnetic CrI3 monolayer
• Influence of oxygen on electronic correlation and transport in iron in the outer Earth's core
• Oxygen-driven enhancement of electron correlation in hexagonal iron at Earth's inner core conditions
• Electron correlation effects in paramagnetic cobalt
• Splitting of electronic spectrum in paramagnetic phase of itinerant ferromagnets and altermagnets
• Coulomb correlations and magnetic properties of L1${}_0$ FeCo: a DFT+DMFT study
• A first-principles study of bcc chromium beyond the generalized gradient approximation (GGA)
• Exchange interactions in itinerant magnets: the effects of local particle-hole irreducible vertex corrections and SU(2) symmetry of Hund interaction
• Local magnetic moment formation and Kondo screening in the presence of Hund exchange: the two-band Hubbard model analysis
• Many-body electronic structure, self-doped double-exchange, and Hund metallicity in 1T-CrTe2 bulk and monolayer