2016/05/01 by L. Craco, M. S. Laad, Stefano Leoni +1
Materials Science · Physics and Astronomy · #Condensed matter physics #Coulomb #Delocalized electron #Electron #Hubbard model #Iron-based superconductors research #Magnetic and transport properties of perovskites and related materials #Materials science #Mott insulator #Mott transition #Physics #Physics of Superconductivity and Magnetism #Quantum mechanics #Strongly correlated material #Superconductivity #cond-mat.mtrl-sci #cond-mat.str-el
paper · pdf · doi:10.1103/physrevb.98.195107
published as Phys. Rev. B 98, 195107 (2018) · 8 pages, 6 figures
arxiv created 2016/05/01 · openalex created_date 2016/06/24 · openalex publication_date 2018/11/05 · arxiv updated 2018/11/14 · openalex updated_date 2026/08/05
We present a microscopic description of electronic reconstruction in BaFe2S3, a system which undergoes a pressure-induced insulator-metal transition followed by a superconducting phase at 24 K. We stress the importance of multiorbital electron-electron interactions for a consistent understanding of its intrinsic Mott-insulating and pressurized, orbital-selective metallic normal states. We explain the first-order nature of the Mott transition, showing that it is driven by dynamical spectral weight transfer in response to changes in the on-site Coulomb interaction to bandwidth ratio. As a by-product of this analysis, we unearth how dynamical correlations underpin spectroscopy and resistivity responses, in good agreement with experiment. Upon electron/hole doping, carrier localization is found to persist because the chemical potential lies in a gap structure with vanishing states near the Fermi energy. We detail the implications of our microscopic analysis for the underlying physics which emerges in the normal state of a compressed BaFe2S3 superconductor.