Correlation-driven metal-insulator transitions in hydrogenated VO<sub>2</sub>

ORAL

Abstract

We investigate the electronic and optical properties of hydrogenated HxVO2. We find doping-dependent metal-insulator transitions as increasing hydrogen content from the optical conductivity measured by spectroscopic ellipsometry, showing a gap opening with a structural transition forming V-V dimer as increasing the H doping. The insulating phase is investigated using density functional and dynamical mean-field theory. We identify the orbital-ordered paramagnetic insulating phase as the ground state of HVO2 in which both the dimer-induced bonding-antibonding splitting and the orbital ordering stabilized by electron correlations play an important role in the metal-insulator transition. We compare the calculated optical conductivity of the metallic and insulating phases with experimental data and discuss the increase in the charge transfer energy with high hydrogen content.

*This work is supported by the Institute for Basic Science in Korea (Grant No. IBS-R009-D1).

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Presenters

  • Se Young Park

    • Center for Correlated Electron Systems (CCES), Institute for Basic Science (IBS)
    • Institute for Basic Science

Authors

  • Se Young Park

    • Center for Correlated Electron Systems (CCES), Institute for Basic Science (IBS)
    • Institute for Basic Science

  • So Yeun Kim

    • Department of Physics and Astronomy, Seoul National University
    • Depart of Physics and Astronomy, Seoul National University

  • Steffen Backes

    • Centre de Physique Théorique, Ecole Polytechnique, France
    • Ecole Polytechnique

  • Byung Cheol Park

    • Center for Correlated Electron Systems (CCES), Institute for Basic Science (IBS)

  • Junwoo Son

    • Department of Materials Science and Engineering, Pohang University of Science and Technology (POSTECH)

  • Hyojin Yoon

    • Department of Materials Science and Engineering, Pohang University of Science and Technology (POSTECH)

  • Tae Won Noh

    • Center for Correlated Electron Systems (CCES), Institute for Basic Science (IBS)
    • Department of physics, Seoul National University
    • Institute for Basic Science

  • Silke Biermann

    • Centre de Physique Théorique, Ecole Polytechnique, France
    • Ecole Polytechnique
    • Centre de Physique Théorique, Ecole Polytechnique
    • Centre de Physique Théorique (CPHT), Ecole Polytechnique