Mutual Experimental and Theoretical Validation of Bulk Photoemission Spectra of Sr1-xCaxVO3
arXiv:cond-mat/0312429 · doi:10.1103/PhysRevLett.93.156402
Abstract
We report high-resolution high-energy photoemission spectra together with parameter-free LDA+DMFT (local density approximation + dynamical mean-field theory) results for Sr1-xCaxVO3, a prototype 3d1 system. In contrast to earlier investigations the bulk spectra are found to be insensitive to x. The good agreement between experiment and theory confirms the bulk-sensitivity of the high-energy photoemission spectra.
4 pages, 3 figures, supercedes cond-mat/0206471 and cond-mat/0211508, to appear in Phys. Rev. Lett
References in corpus (12)
- Ab initio calculations of quasiparticle band structure in correlated systems: LDA++ approach
- First-principles Calculations of the Electronic Structure and Spectra of Strongly Correlated Systems: Dynamical Mean-field Theory
- Mott transition and suppression of orbital fluctuations in orthorhombic 3 perovskites
- Mott-Hubbard Metal-Insulator Transition in Paramagnetic V_2O_3: a LDA+DMFT(QMC) Study
- Band-width control in a perovskite-type 3d^1 correlated metal Ca_{1-x}Sr_xVO_3. I. Evolution of the electronic properties and effective mass
- Photoemission Quasi-Particle Spectra of SrRuO
- Electronic structure of CaSrVO: a tale of two energy-scales
- Evolution of spectral function in a doped Mott insulator : surface vs. bulk contributions
- Band-width control in a perovskite-type 3d^1 correlated metal Ca_1-xSr_xVO_3. II. Optical spectroscopy investigation
- Calculation of photoemission spectra of the doped Mott insulator La_{1-x}Sr_xTiO_3 using LDA+DMFT(QMC)
- Orbital state and magnetic properties of LiV_2 O_4
- Fermi Surface of 3d^1 Perovskite CaVO3 Near the Mott Transition
Cited by in corpus (116)
- Electronic Structure Calculations with Dynamical Mean-Field Theory: A Spectral Density Functional Approach
- Strong electronic correlations from Hund's coupling
- Dynamical Mean-Field Theory within an Augmented Plane-Wave Framework: Assessing Electronic Correlations in the Iron Pnictide LaFeAsO
- Hubbard U and Hund's Exchange J in Transition Metal Oxides: Screening vs. Localization Trends from Constrained Random Phase Approximation
- Full orbital calculation scheme for materials with strongly correlated electrons
- Comparison of Ab initio Low-Energy Models for LaFePO, LaFeAsO, BaFe2As2, LiFeAs, FeSe and FeTe: Electron Correlation and Covalency
- Plane-wave based electronic structure calculations for correlated materials using dynamical mean-field theory and projected local orbitals
- How chemistry controls electron localization in 3d1 perovskites: A Wannier-function study
- Dynamical mean-field theory using Wannier functions: a flexible route to electronic structure calculations of strongly correlated materials
- Nature of Well-Screened State in Hard X-ray Mn 2 Core-Level Photoemission of LaSrMnO Films
- Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3
- Electronic Structure Calculation by First Principles for Strongly Correlated Electron Systems
- Momentum-resolved spectral functions of SrVO calculated by LDA+DMFT
- Electronic Structure of Paramagnetic V_2O_3: Strongly Correlated Metallic and Mott Insulating Phase
- LDA+Gutzwiller Method for Correlated Electron Systems: Formalism and Its Applications
- Comparative study of correlation effects in CaVO3 and SrVO3
- LDA+DMFT implemented with the pseudopotential plane-wave approach
- When strong correlations become weak: Consistent merging of and DMFT
- Combined GW and dynamical mean field theory: Dynamical screening effects in transition metal oxides
- Combining DFT and Many-Body Methods to Understand Correlated Materials
- Low-energy models for correlated materials: bandwidth renormalization from Coulombic screening
- Direct observation of the mass renormalization in SrVO by angle resolved photoemission spectroscopy
- Coherent and Incoherent States of Electron-doped SrTiO3
- Electronics with correlated oxides: SrVO/SrTiO as a Mott transistor
- Ab initio dynamical vertex approximation
- Role of electron-electron and electron-phonon interaction effect in the optical conductivity of VO2
- Multitier self-consistent +EDMFT
- Asymmetric band widening by screened exchange competing with local correlations in SrVO3: new surprises on an old compound from combined GW and dynamical mean field theory GW+DMFT
- Pseudogap and Mott Transition Studied by Cellular Dynamical Mean Field Theory
- Fork Tensor Product States - Efficient Three Orbital Real Time DMFT Solver
- Classification of the electronic correlation strength in the Fe-pnictides: The case of the parent compound BaFe2As2
- Dynamical screening effects in correlated materials: plasmon satellites and spectral weight transfers from a Green's function ansatz to extended dynamical mean field theory
- Manifestation of Correlation Effects in the photoemission spectra of CaSrRuO
- Comparing +DMFT and LDA+DMFT for the testbed material SrVO
- Understanding the bulk electronic structure of Ca1-xSrxVO3
- Self-Energy Effects on the Low- to High-Energy Electronic Structure of SrVO3
- Prominent 5d-orbital contribution to the conduction electrons in gold
- Bulk and surface-sensitive high-resolution photoemission study of Mott-Hubbard systems SrVO and CaVO
- Evidence for strong electronic correlations in the spectra of SrRuO
- Mass renormalization in the band width-controlled Mott-Hubbard systems SrVO3 and CaVO3 studied by angle-resolved photoemission spectroscopy
- Evidence for mass renormalization in LaNiO$"" sub 3_: an in situ soft x-ray photoemission study of epitaxial films
- Effect of Dynamical Coulomb Correlations on the Fermi Surface of Na_0.3CoO_2
- Generalized dynamical mean-field theory in physics of strongly correlated systems
- Merging GW with DMFT and non-local correlations beyond
- General DFT++ method implemented with projector augmented waves: Electronic structure of SrVO and the Mott Transition in CaSrRuO
- Dynamical Screening Effects in Correlated Electron Materials -- A Progress Report on Combined Many-Body Perturbation and Dynamical Mean Field Theory: "GW+DMFT"
- Hubbard band or oxygen vacancy states in the correlated electron metal SrVO?
- Dynamical screening in correlated electron systems - from lattice models to realistic materials
- Surface versus bulk characterization of the electronic inhomogeneity in a VO_{2} film
- Surface dead layer for quasiparticles near a Mott transition
- Electronic correlations and Hund's coupling effects in SrMoO revealed by photoemission spectroscopy
- Photoemission study of (VM)O (M=Cr, Ti)
- Ab initio GW plus cumulant calculation for isolated band system: Application to organic conductor (TMTSF)2PF6 and transition-metal oxide SrVO3
- Doublon-holon origin of the subpeaks at the Hubbard band edges
- First-principles Calculation of Atomic Forces and Structural Distortions in Strongly Correlated Materials
- Efficient lattice dynamics calculations for correlated materials with DFT+DMFT
- LDA+Gutzwiller Method for Correlated Electron Systems
- Self-consistent ladder DA approach
- Continuous-time quantum Monte Carlo calculation of multi-orbital vertex asymptotics
- DMFTwDFT: An open-source code combining Dynamical Mean Field Theory with various Density Functional Theory packages
- The effects of k-dependent self-energy in the electronic structure of correlated materials
- Charge self-consistency in density functional theory + dynamical mean field theory: k-space reoccupation and orbital order
- Screening from states and antiferromagnetic correlations in perovskites: A +EDMFT investigation
- Consistent LDA'+DMFT approach to electronic structure of transition metal oxides: charge transfer insulators and correlated metals
- Low-energy effective Hamiltonians for correlated electron systems beyond density functional theory
- Embedding approach for dynamical mean field theory of strongly correlated heterostructures
- Screened exchange dynamical mean field theory and its relation to density functional theory: SrVO3 and SrTiO3
- Angle-resolved photoemission spectroscopy of perovskite-type transition-metal oxides and their analyses using tight-binding band structure
- The -axis dimer and its electronic break-up: the insulator-to-metal transition in TiO
- Sr(Ba)VO under pressure -- an orbital switch and potential superconductor
- Correlated electronic states of SrVO3 revealed by angle-resolved photoemission spectroscopy
- Dynamical screening in strongly correlated metal SrVO3
- Insulator-metal-insulator transition and selective spectral weight transfer in a disordered strongly correlated system
- Electron correlations in cubic paramagnetic perovskite Sr(V,Mn)O -- Results from fully self-consistent self-energy embedding calculations
- Dipole matrix element approach vs. Peierls approximation for optical conductivity
- Towards ab initio calculations with the dynamical vertex approximation
- Strongly correlated metal interfaces in the Gutzwiller approximation
- A multi-orbital iterated perturbation theory for model Hamiltonians and real material-specific calculations of correlated systems
- Cubic interaction parameters for t2g Wannier orbitals
- Theory of ferromagnetism in vanadium-oxide based perovskites
- Wavefunctions, electronic localization and bonding properties for correlated materials beyond the Kohn-Sham formalism
- The AbinitioDA Project v1.0: Non-local correlations beyond and susceptibilities within dynamical mean-field theory
- Dynamical Mean-Field Theory and Its Applications to Real Materials
- Resonant soft x-ray emission as a bulk probe of correlated electron behavior in metallic SrCaVO
- Dynamical Mean-Field Theory
- Hidden Mott insulator in metallic PdCrO
- Intrinsic Correlated Electronic Structure of CrO2 Revealed by Hard X-ray Photoemission Spectroscopy
- Dynamical Mean-Field Theory of Strongly Correlated Electron Systems
- Mott transition with Holographic Spectral function
- The case for the bulk nature of the spectroscopic Luttinger liquid signatures observed in angle resolved photoemission of Li0.9Mo6O17
- Testing the GFCCSD impurity solver on real materials within the self-energy embedding theory framework
- Exploring the role of nonlocal Coulomb interactions in perovskite transition metal oxides
- Enhanced electron correlations at the SrxCa1-xVO3 surface
- Depth dependence of itinerant character in Mn-substituted Sr3Ru2O7
- Quantum Confinement Induced Metal-Insulator Transition in Strongly Correlated Quantum Wells of SrVO Superlattice
- Bandwidth Control and Symmetry Breaking in a Mott-Hubbard Correlated Metal
- Zoology of spin and orbital fluctuations in ultrathin oxide films
- Metallic surface of a bipolaronic insulator
- dynamical mean-field theory with natural orbitals renormalization group impurity solver: Formalism and applications
- Toward Functionalized Ultrathin Oxide Films: the Impact of Surface Apical Oxygen
- Fermi-Liquid Resistivity: Dynamical Mean-Field Theory Meets Experiment
- Competition between reduced delocalization and charge transfer effects for a two-band Hubbard model
- DFT+DMFT with natural atomic orbital projectors
- Plasmaron excitations in p(2x2)-K/Graphite
- Charge self-consistent density functional theory plus ghost rotationally-invariant slave-boson theory for correlated materials
- Orbital-selective metal skin induced by alkali-metal-dosing Mott-insulating CaRuO
- Dynamical screening in SrVO: Inelastic x-ray scattering experiments and ab initio calculations
- Evolution of the electronic structure across the filling-control and bandwidth-control metal-insulator transitions in pyrochlore-type Ru oxides
- Self-energy self-consistent density functional theory plus dynamical mean field theory
- Internal consistency of multi-tier +EDMFT
- Photoemission and Dynamical Mean Field Theory Study of Electronic Correlation in a Metal of SrRhO Thin Film
- Novel approaches to spectral properties of correlated electron materials: From generalized Kohn-Sham theory to screened exchange dynamical mean field theory
- Mixed-configuration approximation for multiorbital systems out of equilibrium
- Evidence of electron correlation and weak bulk plasmon in SrMoO
- Moment-functional based spectral density-functional theory
- Bandgaps of insulators from moment-functional based spectral density-functional theory