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Pressure-induced orbital-selective metal from the Mott insulator BaFe2Se3

Craco, L. and Leoni, S. 2020. Pressure-induced orbital-selective metal from the Mott insulator BaFe2Se3. Physical Review B 101 (24) , 245133. 10.1103/PhysRevB.101.245133

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Abstract

A general understanding of the mechanism underlying the pressure-induced Mott insulator-metal transition in strongly correlated materials is still lacking. Here we explore the pressure-induced electronic reconstruction in BaFe 2 Se 3 , a potential two-leg ladder system for unconventional (non-BCS) superconductivity. We stress the importance of multiorbital Coulomb interactions in concert with first-principles band-structure calculations for a consistent understanding of its intrinsic Mott-Hubbard insulating state both at ambient and under pressure. We elucidate the nature of pressure-induced insulator-metal transition seen in experiment, showing that it is driven by bandwidth broadening under pressure. We reveal an orbital-selective electronic state where Mott localized and itinerant electrons coexist in compressed BaFe 2 Se 3 , which incorporates orbital-resolved scattering rates and renormalization factors hidden in the normal state at high pressures.

Item Type: Article
Date Type: Publication
Status: Published
Schools: Chemistry
Publisher: American Physical Society
ISSN: 2469-9950
Funders: EPSRC
Date of First Compliant Deposit: 29 June 2020
Date of Acceptance: 27 May 2020
Last Modified: 03 Aug 2020 09:11
URI: http://orca.cardiff.ac.uk/id/eprint/132870

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