Vanadium Dioxide: A Peierls-Mott Insulator Stable against Disorder

Weber, Cédric; O’Regan, David D.; Hine, Nicholas D. M.; Payne, Mike C.; Kotliar, Gabriel; Littlewood, P. B.

doi:10.1103/physrevlett.108.256402

Cited by 180 publications

(179 citation statements)

References 37 publications

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“…4 displays that γ basically depends on K ρ as predicted by Eq. (10). This means that the long-range localization properties of the AEM can be understood in the framework of AtV M with an effective intersite interaction induced by the bosonic degrees of freedom.…”

Section: Dmrg Resultsmentioning

confidence: 99%

“…6 An understanding of how disorder and interaction act together is of vital importance not only to discuss the metalinsulator itself but also to analyze the electronic properties of many quasi-1D materials of current interest, such as conjugated polymers, organic charge transfer salts, ferroelectric perovskites, halogen-bridged transition metal complexes, TMT[SF,TF] chains, Qn(TCNQ) 2 compounds, or, e.g., the quite recently studied vanadium dioxide Peierls-Mott insulator. [7][8][9][10] Carbon nanotubes 11 and organic semiconductors 12 are other examples where disorder and bosonic degrees of freedom are of importance. Regarding interacting bosons, ultracold atoms trapped in optical lattices offer the unique possibility to tune both the disorder and interaction strength.…”

Section: Introductionmentioning

confidence: 99%

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Anderson localization versus charge-density-wave formation in disordered electron systems

Nishimoto

Fehske

2013

Phys. Rev. B

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We study the interplay of disorder and interaction effects including bosonic degrees of freedom in the framework of a generic one-dimensional transport model, the Anderson-Edwards model. Using the density-matrixrenormalization group technique, we extract the localization length and the renormalization of the TomonagaLuttinger-liquid parameter from the charge-structure factor by a elaborate sample-average finite-size scaling procedure. The properties of the Anderson localized state can be described in terms of scaling relations of the metallic phase without disorder. We analyze how disorder competes with the charge-density-wave correlations triggered by the bosons and give evidence that disorder will destroy the long-range charge-ordered state.

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Section: Dmrg Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Anderson localization versus charge-density-wave formation in disordered electron systems

Nishimoto

Fehske

2013

Phys. Rev. B

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“…Since linear-scaling DFT methods are also available [52], the linear-scaling property of our solver opens up the possibility of studying correlated systems with extremely large supercells [53][54][55]-even containing several hundreds of correlated atoms.…”

Section: The Gutzwiller Approximation For the Hubbard Modelmentioning

confidence: 99%

Phase Diagram and Electronic Structure of Praseodymium and Plutonium

Lanatà¹,

Yao²,

et al. 2015

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We develop a new implementation of the Gutzwiller approximation in combination with the local density approximation, which enables us to study complex 4f and 5f systems beyond the reach of previous approaches. We calculate from first principles the zero-temperature phase diagram and electronic structure of Pr and Pu, finding good agreement with the experiments. Our study of Pr indicates that its pressure-induced volume-collapse transition would not occur without change of lattice structure-contrarily to Ce. Our study of Pu shows that the most important effect originating the differentiation between the equilibrium densities of its allotropes is the competition between the Peierls effect and the Madelung interaction and not the dependence of the electron correlations on the lattice structure.

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“…First, there has always been an interest in whether a specific system was a Mott insulator or a Peierls insulator, such as in vanadates and manganites and many related oxide systems. [27][28][29] However, it is not so easy to follow the electronic structure across a transition where the atomic structure varies. Second, there is growing interest in using correlated oxide systems such as vanadium oxides in microelectronics, such as in high switching current Mott field effect transistors or "Mott-FETs," [30][31][32] in non-volatile resistive random access memories (RRAM), 33 and in fast optical switches.…”

Section: Introductionmentioning

confidence: 99%

Calculation of metallic and insulating phases of V2O3 by hybrid density functionals

Guo

Clark

Robertson

2014

The Journal of Chemical Physics

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Use policyThe full-text may be used and/or reproduced, and given to third parties in any format or medium, without prior permission or charge, for personal research or study, educational, or not-for-pro t purposes provided that:• a full bibliographic reference is made to the original source • a link is made to the metadata record in DRO • the full-text is not changed in any way The full-text must not be sold in any format or medium without the formal permission of the copyright holders.Please consult the full DRO policy for further details. The electronic structure of vanadium sesquioxide V 2 O 3 in its different phases has been calculated using the screened exchange hybrid density functional. The hybrid functional accurately reproduces the experimental electronic properties of all three phases, the paramagnetic metal (PM) phase, the anti-ferromagnetic insulating phase, and the Cr-doped paramagnetic insulating (PI) phase. We find that a fully relaxed supercell model of the Cr-doped PI phase based on the corundum structure has a monoclinic-like local strain around the substitutional Cr atoms. This is found to drive the PI-PM transition, consistent with a Peierls-Mott transition. The PI phase has a calculated band gap of 0.15 eV, in good agreement with experiment. © 2014 AIP Publishing LLC.

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Vanadium Dioxide: A Peierls-Mott Insulator Stable against Disorder

Cited by 180 publications

References 37 publications

Anderson localization versus charge-density-wave formation in disordered electron systems

Anderson localization versus charge-density-wave formation in disordered electron systems

Phase Diagram and Electronic Structure of Praseodymium and Plutonium

Calculation of metallic and insulating phases of V2O3 by hybrid density functionals

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