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

Craco, L. and Leoni, S. ORCID: https://orcid.org/0000-0003-4078-1000 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 Advanced Research Computing @ Cardiff (ARCCA)
Publisher:	American Physical Society
ISSN:	2469-9969
Funders:	EPSRC
Date of First Compliant Deposit:	29 June 2020
Date of Acceptance:	27 May 2020
Last Modified:	04 May 2023 09:54
URI:	https://orca.cardiff.ac.uk/id/eprint/132870

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