Bands, resonances, edge singularities and excitons in core level spectroscopy investigated within the dynamical mean field theory

Abstract

Using a recently developed impurity solver we exemplify how dynamical mean field theory captures band excitations, resonances, edge singularities and excitons in core level x-ray absorption (XAS) and core level photo electron spectroscopy (cPES) on metals, correlated metals and Mott insulators. Comparing XAS at different values of the core-valence interaction shows how the quasiparticle peak in the absence of core-valence interactions evolves into a resonance of similar shape, but different origin. Whereas XAS is rather insensitive to the metal insulator transition, cPES can be used, due to nonlocal screening, to measure the amount of local charge fluctuation.

References in corpus (11)

• Multiplet ligand-field theory using Wannier orbitals
• Orbital-assisted metal-insulator transition in VO${}_2$
• Bethe-Salpeter Equation Calculations of Core Excitation Spectra
• Efficient real frequency solver for dynamical mean field theory
• Photoemission evidence for a Mott-Hubbard metal-insulator transition in VO${}_2$
• Core-Level X-Ray Photoemission Satellites in Ruthenates: A New Mechanism Revealing the Mott Transition
• Inequivalent routes across the Mott transition in V2O3 explored by X-ray absorption
• Determining the crystal-field ground state in rare earth Heavy Fermion materials using soft-x-ray absorption spectroscopy
• Theory of Core-Level Photoemission and the X-ray Edge Singularity Across the Mott Transition
• Many-body effects in x-ray absorption and magnetic circular dichroism spectra within the LSDA+DMFT framework
• Atomic and itinerant effects at the transition metal x-ray absorption K-pre-edge exemplified in the case of V${}_2$O${}_3$

Cited by in corpus (37)

• Bond disproportionation and dynamical charge fluctuations in the perovskite rare earth nickelates
• Nature of the magnetism of iridium in the double perovskite Sr2CoIrO6
• Charge-transfer effect in hard x-ray 1$s$ and 2$p$ photoemission spectra: LDA+DMFT and cluster-model analysis
• Crossover from Collective to Incoherent Spin Excitations in Superconducting Cuprates Probed by Detuned Resonant Inelastic X-ray Scattering
• Site-selective Probe of Magnetic Excitations in Rare-earth Nickelates using Resonant Inelastic X-ray Scattering
• Theory of $L$-edge spectroscopy of strongly correlated systems
• Natural-Orbital Impurity Solver and Projection Approach for Green's Function
• Orbital engineering in nickelate heterostructures driven by anisotropic oxygen hybridization rather than orbital energy levels
• Realistic theory of electronic correlations in nanoscopic systems
• Photo-induced nonequilibrium states in Mott insulators
• Ab initio calculation of the electron capture spectrum of 163Ho: Auger-Meitner decay into continuum states
• Simulation of time-dependent resonant inelastic X-ray scattering using non-equilibrium dynamical mean-field theory
• Tree tensor-network real-time multiorbital impurity solver: Spin-orbit coupling and correlation functions in Sr${}_2$RuO${}_4$
• The origin of magnetism in a supposedly nonmagnetic osmium oxide
• Chemical and valence reconstruction at the surface of SmB6 revealed with resonant soft x-ray reflectometry
• Probing the $J_{eff}=0$ ground state and the Van Vleck paramagnetism of the Ir${}^{5+}$ ions in the layered Sr${}_2$Co${}_{0.5}$Ir${}_{0.5}$O${}_4$
• $\text{Ab initio}$ calculation of the calorimetric electron capture spectrum of ${}^{163}$Holmium: Intra-atomic decay into bound-states
• Non-perturbative series expansion of Green's functions: The Anatomy of Resonant Inelastic X-Ray Scattering in Doped Hubbard Model
• Electronic structure investigation of GdNi using X-ray absorption, magnetic circular dichroism and hard x-ray photoemission spectroscopy
• Resonant inelastic x-ray scattering study of bond order and spin excitations in nickelate thin-film structures
• Negative charge transfer energy in correlated compounds
• Photo-induced charge-transfer renormalization in NiO
• Atomic multiplet and charge-transfer screening effects in 1$s$ and 2$p$ core-level X-ray photoelectron spectra of early 3$d$ transition-metal oxides
• Fundamental Crystal Field Excitations in Magnetic Semiconductor SnO${}_2$:Mn,Fe,Co,Ni
• Kondo screening and beyond: an x-ray absorption and dichroism study of CePt${}_5$/Pt(111)
• Local interpretation of time-resolved X-ray absorption in Mott insulators: Insights from nonequilibrium dynamical mean-field theory
• The magnetic exciton of EuS revealed by resonant inelastic x-ray scattering
• Resonant Inelastic X-ray Scattering from Electronic Excitations in $\alpha$-RuCl${}_3$ Nanolayers
• Tunability of Room Temperature Ferromagnetism in Spintronic Semiconductors through Non-magnetic Atoms
• A machine learning approach to predict L-edge x-ray absorption spectra of light transition metal ion compounds
• Measuring the ultrafast screening of $U$ in photo-excited charge-transfer insulators with time-resolved X-ray absorption spectroscopy
• Resonant X-ray spectroscopies on Chromium $3\text{d}$ orbitals in CrSBr
• Oxygen sublattice disorder and valence state modulation in infinite-layer nickelate superlattices
• Computing local multipoint correlators using the numerical renormalization group
• Electronic and magnetic properties of light rare-earth cubic Laves compounds derived from XMCD experiments
• Trigonal distortion in the Kitaev candidate honeycomb magnet BaCo2(AsO4)2
• Fingerprints of Mott and Slater gaps in the core-level photoemission spectra of antiferromagnetic iridates