Magnetism, structure, and charge correlation at a pressure-induced Mott-Hubbard insulator-metal transition

Feng, Yejun; Jaramillo, Rafael; Banerjee, Arnab; Honig, J.M.; Rosenbaum, T. F.

doi:10.1103/physrevb.83.035106

Cited by 29 publications

(23 citation statements)

References 28 publications

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“…Our observations suggest that the large region of paramagnetism in the phase diagram of V 2 O 3 is made possible by magnetic frustration which deeply suppresses magnetic order in the Mott insulator. This reinforces the importance of exploring metallization of frustrated magnets through doping [9,10] and pressure [11][12][13]. [14] as a function of both chemical substitution (bottom axis) and the equivalent applied pressure (top axis).…”

Section: Introductionmentioning

confidence: 53%

Frustrated Magnetism in Mott Insulating (V1−xCrx)2<

et al. 2019

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V2O3 famously features all four combinations of paramagnetic vs antiferromagnetic, and metallic vs insulating states of matter in response to %-level doping, pressure in the GPa range, and temperature below 300 K. Using time-of-flight neutron spectroscopy combined with density functional theory calculations of magnetic interactions, we have mapped and analyzed the inelastic magnetic neutron scattering cross section over a wide range of energy and momentum transfer in the chromium stabilized antiferromagnetic and paramagnetic insulating phases (AFI & PI). Our results reveal an important magnetic frustration and degeneracy of the PI phase which is relieved by the rhombohedral to monoclinic transition at TN = 185 K. This leads to the recognition that magnetic frustration is an inherent property of the paramagnetic phase in (V1−xCrx)2O3 and plays a key role in suppressing the magnetic long range ordering temperature and exposing a large phase space for the paramagnetic Mott metal-insulator transition to occur.

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Section: Introductionmentioning

confidence: 53%

Frustrated Magnetism in Mott Insulating (V1−xCrx)2<

et al. 2019

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“…A drastic change is observed at a pressure of 3 GPa: Here, the low-temperature resistivity is reduced by many orders of magnitude, signaling the MIT. The steps in the resistivity curves when passing through the MIT may indicate that the volume contraction on metallization 29 of consecutive parts of the sample affects the stress acting on the remaining sample, in particular considering that the pressure medium is frozen at these temperatures. This can cause different parts of the sample to undergo the MIT at different temperatures, but pressure homogeneity is restored at low temperature, when the sample is fully metallic.…”

Section: Resultsmentioning

confidence: 99%

“…At the pressures studied, NiS 2 is suggested to be antiferromagnetic at low temperature 30 . High pressure diffraction studies have so far not resolved the spin structure in metallic NiS 2 29 33 , but neutron diffraction studies in the Ni(S/Se) 2 composition series (e.g. Ref.…”

Section: Resultsmentioning

confidence: 99%

Large Fermi Surface of Heavy Electrons at the Border of Mott Insulating State in NiS2

Friedemann

Chang

Gamża

et al. 2016

Sci Rep

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One early triumph of quantum physics is the explanation why some materials are metallic whereas others are insulating. While a treatment based on single electron states is correct for most materials this approach can fail spectacularly, when the electrostatic repulsion between electrons causes strong correlations. Not only can these favor new and subtle forms of matter, such as magnetism or superconductivity, they can even cause the electrons in a half-filled energy band to lock into position, producing a correlated, or Mott insulator. The transition into the Mott insulating state raises important fundamental questions. Foremost among these is the fate of the electronic Fermi surface and the associated charge carrier mass, as the Mott transition is approached. We report the first direct observation of the Fermi surface on the metallic side of a Mott insulating transition by high pressure quantum oscillatory measurements in NiS2. Our results point at a large Fermi surface consistent with Luttinger’s theorem and a strongly enhanced quasiparticle effective mass. These two findings are in line with central tenets of the Brinkman-Rice picture of the correlated metal near the Mott insulating state and rule out alternative scenarios in which the carrier concentration vanishes continuously at the metal-insulator transition.

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“…This is the case of NiS 2 . Therefore, in the present case we obtain QP wavefunctions and energies from a self-consistent (sc) solution of the QP equation (3) in the COHSEX approximation 13 . In such a way the final result is independent of the quality of the KS starting point.…”

Section: Methodsmentioning

confidence: 99%

Electronic and magnetic properties of NiS2, NiSSe and NiSe2 by a combination of theoretical methods

2012

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We investigate the electronic and magnetic properties of NiS2, which, by varying the chemical composition substituting S by Se atoms or applying pressure, can be driven across various electronic and magnetic phase transitions. By combining several theoretical methods, we highlight the different role played by the chalcogen dimers and the volume compression in determining the phase transitions, through variations of the chalcogen p bonding-antibonding gap, the crystal-field splitting and the broadening of the bandwidths. While the generalized gradient approximation (GGA) of density-functional theory fails to reproduce the insulating nature of NiS2, it describes well the magnetic boundaries of the phase diagram. The large GGA delocalization error is corrected to a large extent by the use of GGA+U, hybrid functionals or the self-consistent COHSEX + GW approximation. We also discuss the advantages and the shortcomings of the different approximations in the various regions of the phase diagram of this prototypical correlated compound.

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Magnetism, structure, and charge correlation at a pressure-induced Mott-Hubbard insulator-metal transition

Cited by 29 publications

References 28 publications

Frustrated Magnetism in Mott Insulating (V1−xCrx)2<

Frustrated Magnetism in Mott Insulating (V1−xCrx)2<

Large Fermi Surface of Heavy Electrons at the Border of Mott Insulating State in NiS2

Electronic and magnetic properties of NiS2, NiSSe and NiSe2 by a combination of theoretical methods

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