期刊
PHYSICAL REVIEW B
卷 101, 期 24, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.101.245133
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资金
- CNPq [304035/2017-3]
- UK Research Council [EP/M50631X/1]
- DFG [SPP1415]
- EPSRC [EP/L000202]
- Office of Science and Technology through EPSRC's High End Computing Programme
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 BaFe2Se3, 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 BaFe2Se3, which incorporates orbital-resolved scattering rates and renormalization factors hidden in the normal state at high pressures.
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