Dynamical Mean-Field Theory and Its Applications to Real Materials

Abstract

Dynamical mean-field theory (DMFT) is a non-perturbative technique for the investigation of correlated electron systems. Its combination with the local density approximation (LDA) has recently led to a material-specific computational scheme for the ab initio investigation of correlated electron materials. The set-up of this approach and its application to materials such as (Sr,Ca)VO_3, V_2O_3, and Cerium is discussed. The calculated spectra are compared with the spectroscopically measured electronic excitation spectra. The surprising similarity between the spectra of the single-impurity Anderson model and of correlated bulk materials is also addressed.

20 pages, 9 figures, invited paper for the JPSJ Special Issue "Kondo Effect - 40 Years after the Discovery"; final version, references added

References in corpus (25)

• Cellular Dynamical Mean Field Approach to Strongly Correlated Systems
• Nonlocal Dynamical Correlations of Strongly Interacting Electron Systems
• Mott transition and suppression of orbital fluctuations in orthorhombic 3$d^1$ perovskites
• Anomalous Normal-State Properties of High-T${}_c$ Superconductors -- Intrinsic Properties of Strongly Correlated Electron Systems?
• First principles approach to the electronic structure of strongly correlated systems: combining GW and DMFT
• Zero temperature metal-insulator transition in the infinite-dimensional Hubbard model
• Finite temperature numerical renormalization group study of the Mott-transition
• Mott-Hubbard Metal-Insulator Transition in Paramagnetic V_2O_3: a LDA+DMFT(QMC) Study
• Mutual Experimental and Theoretical Validation of Bulk Photoemission Spectra of Sr1-xCaxVO3
• The Cerium volume collapse: Results from the LDA+DMFT approach
• Prominent quasi-particle peak in the photoemission spectrum of the metallic phase of V_2O_3
• The low-energy scale of the periodic Anderson model
• Thermodynamic and spectral properties of compressed Ce calculated by the merger of the local density approximation and dynamical mean field theory
• Electronic Structure of Paramagnetic V_2O_3: Strongly Correlated Metallic and Mott Insulating Phase
• The Finite Temperature Mott Transition in the Hubbard Model in Infinite Dimensions
• Surface vs. bulk Coulomb correlations in photoemission spectra of perovskites
• Volume-Collapse Transitions in the Rare Earth Metals
• The spectral and magnetic properties of $\alpha$- and $\gamma$-Ce from the Dynamical Mean-Field Theory and Local Density Approximation
• Realistic modeling of strongly correlated electron systems: An introduction to the LDA+DMFT approach
• Calculation of photoemission spectra of the doped Mott insulator La_{1-x}Sr_xTiO_3 using LDA+DMFT(QMC)
• Similarities between the Hubbard and Periodic Anderson Models at Finite Temperatures
• Fermi Surface of 3d^1 Perovskite CaVO3 Near the Mott Transition
• Quantum Monte Carlo calculation of the finite temperature Mott-Hubbard transition
• Filling of the Mott-Hubbard gap in the high temperature photoemission spectrum of (V_0.972Cr_0.028)_2O_3
• Mott transition of the f-electron system in the periodic Anderson model with nearest neighbor hybridization

Cited by in corpus (15)

• Strongly Correlated Materials
• Magnetic state of plutonium ion in metallic Pu and its compounds
• 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
• LDA+DMFT computation of the electronic spectrum of NiO
• Multiplets Matter: The Electronic Structure of Rare-Earth Semiconductors and Semimetals
• Extended Variational Cluster Approximation
• DCore: Integrated DMFT software for correlated electrons
• The effect of local magnetic moments on spectral properties and resistivity near the interaction- and doping induced Mott transitions
• Dynamical Mean-Field Theory - from Quantum Impurity Physics to Lattice Problems
• Mott metal-insulator transition from steady-state density functional theory
• Transport and Spectra in the Half-filled Hubbard Model: A Dynamical Mean Field Study
• Mott transition in the asymmetric Hubbard model at half-filling within dynamical mean-field theory
• Zero temperature dynamics of the Hubbard model in infinite dimensions: A local moment approach
• Can disorder act as a chemical pressure? An optical study of the Hubbard model