Nature of the 5f states in actinide metals

Abstract

Actinide elements produce a plethora of interesting physical behaviors due to the 5f states. This review compiles and analyzes progress in understanding of the electronic and magnetic structure of the 5f states in actinide metals. Particular interest is given to electron energy-loss spectroscopy and many-electron atomic spectral calculations, since there is now an appreciable library of core d -> valence f transitions for Th, U, Np, Pu, Am, and Cm. These results are interwoven and discussed against published experimental data, such as x-ray photoemission and absorption spectroscopy, transport measurements, and electron, x-ray, and neutron diffraction, as well as theoretical results, such as density-functional theory and dynamical mean-field theory.

arXiv comment136 pages in Word format, 29 Figures; Accepted to Reviews of Modern Physics

References in corpus (28)

• Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
• Quantum Spin Hall Effect and Enhanced Magnetic Response by Spin-Orbit Coupling
• Andreev - Saint James reflections: a probe of cuprate superconductors
• Superconductivity and Quantum Criticality in CeCoIn_5
• What is the valence of a correlated solid? The double life of delta-plutonium
• Metal-Insulator-Like Behavior in Semimetallic Bismuth and Graphite
• Absence of magnetic moments in plutonium
• The Cerium volume collapse: Results from the LDA+DMFT approach
• Ground State Theory of delta-Pu
• Magnetic state of plutonium ion in metallic Pu and its compounds
• Coulomb-U and magnetic moment collapse in $\delta$-Pu
• The alpha to gamma transition in Ce: a theoretical view from optical spectroscopy
• Experimental electronic heat capacities of $\alpha -$ and $\delta -$Plutonium; heavy-fermion physics in an element
• Electronic Structure and Fermiology of PuCoGa${}_5$
• Many-Body Electronic Structure of Americium metal
• Photoemission and the Electronic Structure of PuCoGa5
• Spectral Properties of delta-Plutonium: Sensitivity to 5f Occupancy
• Magnetic circular dichroism in EELS: Towards 10 nm resolution
• Electronic structure and non-magnetic character of $\delta$-Pu-Am alloys
• An dynamical-mean-field-theory investigation of specific heat and electronic structure of $\alpha$ and $\delta$-plutonium
• Multiplet effects in the electronic structure of $\delta$-Pu, Am and their compounds
• Infrared and optical spectroscopy of alpha and gamma-phase Ce
• Self-interaction Corrected Local Spin Density Theory of 5f Electron Localization in Actindes
• Dynamical mean-field theory of photoemission spectra of actinide compounds
• Quasi-particles and their absence in photoemission spectroscopy
• Pinning frequencies of the collective modes in $\alpha$-uranium
• Valence-Band UPS, 6$p$ Core-Level XPS Photoemission Spectroscopy, and Low-Energy Electron Diffraction of a Uranium (001) Single Crystal
• New Pseudo-Phase Structure for $\alpha$-Pu

Cited by in corpus (109)

• Superconducting phases of f-electron compounds
• Colloquium: Hidden Order, Superconductivity, and Magnetism -- The Unsolved Case of URu2Si2
• Ground state properties and high pressure behavior of plutonium dioxide: Systematic density functional calculations
• Electronic structure and ionicity of actinide oxides from first principles calculations
• Multipole decomposition of LDA+$U$ energy and its application to actinides compounds
• Multiconfigurational nature of 5f orbitals in uranium and plutonium intermetallics
• The Valence-Fluctuating Ground State of Plutonium
• Actinide Topological Insulator Materials with Strong Interaction
• Single-component superconducting state in UTe2 at 2 K
• The $\gamma$-$\alpha$ iso-structural Transition in Cerium, a Critical Element
• Optical properties of UO2 and PuO2
• Electronic structure of cerium: A comprehensive first-principles study
• 5d-5f Electric-multipole Transitions in Uranium Dioxide Probed by Non-resonant Inelastic X-ray Scattering
• Electronic structure and core-level spectra of light actinide dioxides in the dynamical mean-field theory
• First-principles study of surface properties of PuO2: Effects of thickness and O-vacancy on surface stability and chemical activity
• Probing Electronic Correlations in Actinide Materials Using Multipolar Transitions
• Electronic Structure of Heavy Fermion Uranium Compounds Studied by Core-Level Photoelectron Spectroscopy
• A Comparative Study of the Valence Electronic Excitations of N_2 by Inelastic X-ray and Electron Scattering
• The degree of 5f electron localization in URu2Si2: electron energy-loss spectroscopy and spin-orbit sum rule analysis
• Anomalous spin distribution in the superconducting ferromagnet UCoGe studied by polarized neutron diffraction
• Coexistence of Bound and Virtual-bound States in Shallow-core to Valence Spectroscopies
• Electronic structure and spectral properties of Am, Cm and Bk: Charge density self-consistent LDA+HIA calculations in FP-LAPW basis
• Negative thermal expansion and antiferromagnetism in the actinide oxypnictide NpFeAsO
• Electronic Structure and Correlation Effects in PuCoIn5 as compared to PuCoGa5
• Itinerant ferromagnetism in actinide 5f electrons system: Phenomenological analysis with spin fluctuation theory
• Spin-Orbit Coupling Induced Degeneracy in the Anisotropic Unconventional Superconductor UTe${}_2$
• Unified character of correlation effects in unconventional Pu-based superconductors and δ-Pu
• First-principles phase stability, bonding, and electronic structure of actinide metals
• Synchrotron Radiation Techniques and their Application to Actinide Materials
• Nature of the 5$f$ electronic structure of plutonium
• Interatomic potentials for mixed oxide (MOX) nuclear fuels
• Non-magnetic ground state of PuO${}_2$
• Application of the S=1 underscreened Anderson lattice model to Kondo uranium and neptunium compounds
• Different routes to pressure-induced volume collapse transitions in gadolinium and terbium metals
• UTe${}_2$: a nearly insulating half-filled $j=\frac{5}{2}$ $5f^3$ heavy fermion metal
• Plutonium-Based Heavy-Fermion Systems
• Racah materials: role of atomic multiplets in intermediate valence systems
• Electronic structure and magnetism of samarium and neodymium adatoms on free-standing graphene
• Electronic and structural ground state of heavy alkali metals at high pressure
• Quadrupolar Superexchange Interactions, Multipolar Order and Magnetic Phase Transition in UO${}_2$
• The Tricritical Point of the f-electron Antiferromagnet USb2 Driven by High Magnetic Fields
• Unfolding the physics of URu2Si2 through Si -> P substitution
• Ab Initio Construction of Interatomic Potentials for Uranium Dioxide Across all Interatomic Distances
• The different roles of Pu-oxide overlayers in the hydrogenation of Pu-metal: An ab initio molecular dynamics study based on vdW-DFT+U
• Understanding Magnetic Properties of Actinide-Based Compounds from Machine Learning
• High temperature singlet-based magnetism from Hund's rule correlations
• Ultra-High Resolution Neutron Spectroscopy of Low-Energy Spin Dynamics in UGe${}_2$
• Emergence of quasiparticle multiplets in curium
• Effective Coulomb interaction in actinides from linear response approach
• Combining electronic structure and many-body theory with large data-bases: a method for predicting the nature of 4f states in Ce compounds
• Lattice dynamics and elastic properties of alpha-U at high-temperature and high-pressure by machine learning potential simulations
• Advances in actinide thin films: synthesis, properties, and future directions
• Raman spectroscopy of $f$-electron metals: an example of CeB${}_6$
• Spin moment formation and reduced orbital polarization in LaNiO${}_3$/LaAlO${}_3$ superlattice: LDA+U study
• U 5$f$ crystal-field ground state of UO${}_2$ probed by directional dichroism in nonresonant inelastic x-ray scattering
• Magnetic susceptibility of Ce: an LDA+DMFT study
• Pressure-Driven 5$f$ Localized-Itinerant Transition and Valence Fluctuation in Californium
• Iridium 5$\text{d}$-electron driven superconductivity in ThIr${}_3$
• Strong Adsorption between Uranium Dicarbide and Graphene Surface Induced by f Electrons
• Microscopic analysis of multipole susceptibility of actinide dioxides: A scenario of multipole ordering in AmO${}_2$
• Correlation strength and orbital differentiation across the phase diagram of plutonium metal
• Hidden orders in spin-orbit entangled correlated insulators
• Bulk properties and electronic structure of PuFeAsO
• Electronic structure and magnetism in UGa2: DFT+DMFT approach
• Electronic structure, electron-phonon coupling and superconductivity in noncentrosymmetric ThCoC2 from ab initio calculations
• Bypassing the computational bottleneck of quantum-embedding theories for strong electron correlations with machine learning
• Magnetic polarization of the americium $J=0$ ground state in AmFe${}_2$
• Implementation of LDA+DMFT with pseudo-potential-plane-wave method
• Splitting Fermi Surfaces and Heavy Electronic States in Non-Centrosymmetric U3Ni3Sn4
• The malleability of uranium: manipulating the charge-density wave in epitaxial films
• Probing the 5f Electrons in Am-I by Hybrid Density Functional Theory
• Phase stabilization by electronic entropy in plutonium
• ${}^{239}$Pu nuclear magnetic resonance in the candidate topological insulator PuB${}_4$
• Site and orbital selective correlations in $\beta$-Pu
• The environmental dependence of redox energetics of PuO2 and α-Pu2O3: A quantitative solution from DFT+U calculations
• Doubly screened Coulomb correction approach for strongly correlated systems
• Temperature-driven hidden 5f itinerant-localized crossover in heavy-fermion compound PuIn3
• Electronic structure and magnetic state of transuranium metals under pressure
• Probing magnetism in the vortex phase of PuCoGa${}_5$ by X-ray magnetic circular dichroism
• A Mean Field Model for the Quadrupolar Phases of UPd${}_3$
• Thermoelectric power as a probe of density of states in correlated actinide materials: the case of PuCoGa${}_5$ superconductor
• Fermi surface topology and de Hass-van Alphen orbits in PuIn${}_3$ and PuSn${}_3$ compounds
• Magnetic, transport, and thermal properties of $\delta$-phase UZr${}_2$
• Quasiparticle multiplets and 5f electronic correlation in prototypical plutonium borides
• Ideal strengths and bonding properties of PuO2 under tension
• Collapse of quasiparticle multiplets and $5f$ itinerant-localized crossovers in cubic phase Pu${}_3$Ga
• Absence of the Pauli-Paramagnetic Limit in a Superconducting U${}_6$Co
• Low temperature magnetic properties of NpNi${}_5$
• Unfolding of antiferromagnetic phases and multicritical points in a two-orbital model for Uranium compounds under pressure and magnetic field
• Multiple Quantum Phase Transitions of Plutonium compounds
• Hybridization effect on the X-ray absorption spectra for actinide materials: Application to PuB${}_4$
• Self-consistent spin-fluctuation spectrum and correlated electronic structure of actinides
• Unraveling exotic 5$f$ states and paramagnetic phase of PuSn${}_3$
• Crystal structure and physical properties of AmPd5Al2
• Electronically driven collapse of the bulk modulus in $\delta$-plutonium
• The role of band filling in tuning the high field phases of URu2Si2
• Tuning the structural and antiferromagnetic phase transitions in UCr${}_2$Si${}_2$: hydrostatic pressure and chemical substitution
• Unusual Behaviour of (Np,Pu)B2C
• Pressure-induced suppression of ferromagnetism in CePd${}_2$P${}_2$
• Reexaming the ground state and magnetic properties of curium dioxide
• The effect of $f$-$c$ hybridization on the $\gamma \to \alpha$ phase transition of cerium studied by lanthanum doping
• Theory of valence-band and core-level photoemission from plutonium dioxide
• Exploring the exotic f states of prototype compounds CeSb and USb
• Novel correlated 5f electronic states in cubic AnSn3 (An=U, Np, Pu) intermetallics
• Magnetic transitions induced by pressure and magnetic field in a two-orbital $5f$-electron model in cubic and tetragonal lattices
• Magnetic structure of actinide metals
• First-Principles Study of Hydrogen Behaviors in $\alpha$-Pu${}_2$O${}_3$
• Correlated 5f electronic states and phase stability in americium under high pressure: Insights from DFT+DMFT calculations
• Unified Theory of Hastatic order and Antiferromagnetism in URu${}_2$Si${}_2$