Validity of the Local Approximation in Iron- Pnictides and Chalcogenides

Abstract

We introduce a cluster DMFT (Dynamical Mean Field Theory) approach to study the normal state of the iron pnictides and chalcogenides. In the regime of moderate mass renormalizations, the self-energy is very local, justifying the success of single site DMFT for these materials and for other Hunds metals. We solve the corresponding impurity model with CTQMC (Continuous Time Quantum Monte-Carlo) and find that the minus sign problem is not severe in regimes of moderate mass renormalization.

7 pages, 5 figures

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• Applications of DFT+DMFT in Materials Science
• Hundness versus Mottness in a three-band Hubbard-Hund model: On the origin of strong correlations in Hund metals
• TRILEX and $GW$+EDMFT approach to $d$-wave superconductivity in the Hubbard model
• Effect of non-local correlations on the electronic structure of LiFeAs
• Is the orbital-selective Mott phase stable against interorbital hopping?
• Non-local correlations in the orbital selective Mott phase of a one dimensional multi-orbital Hubbard model
• Differentiating Hund from Mott physics in a three-band Hubbard-Hund model: Temperature dependence of spectral, transport, and thermodynamic properties
• Dynamical Mean-Field Theory of Strongly Correlated Electron Systems
• On the Spatial Locality of Electronic Correlations in LiFeAs
• Anisotropy of electronic correlations: On the applicability of local theories to layered materials
• Local Self-Energies for V and Pd Emergent from a Non-Local LDA+FLEX Implementation
• Role of electric fields on enhanced electron correlation in surface-doped FeSe