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Competing electronic states emerging on polar surfaces

Author

Listed:
  • Michele Reticcioli

    (University of Vienna, Faculty of Physics, Center for Computational Materials Science
    Technische Universität Wien)

  • Zhichang Wang

    (Technische Universität Wien
    Xiamen University)

  • Michael Schmid

    (Technische Universität Wien)

  • Dominik Wrana

    (Charles University)

  • Lynn A. Boatner

    (Oak Ridge National Laboratory)

  • Ulrike Diebold

    (Technische Universität Wien)

  • Martin Setvin

    (Technische Universität Wien
    Charles University)

  • Cesare Franchini

    (University of Vienna, Faculty of Physics, Center for Computational Materials Science
    Università di Bologna)

Abstract

Excess charge on polar surfaces of ionic compounds is commonly described by the two-dimensional electron gas (2DEG) model, a homogeneous distribution of charge, spatially-confined in a few atomic layers. Here, by combining scanning probe microscopy with density functional theory calculations, we show that excess charge on the polar TaO2 termination of KTaO3(001) forms more complex electronic states with different degrees of spatial and electronic localization: charge density waves (CDW) coexist with strongly-localized electron polarons and bipolarons. These surface electronic reconstructions, originating from the combined action of electron-lattice interaction and electronic correlation, are energetically more favorable than the 2DEG solution. They exhibit distinct spectroscopy signals and impact on the surface properties, as manifested by a local suppression of ferroelectric distortions.

Suggested Citation

  • Michele Reticcioli & Zhichang Wang & Michael Schmid & Dominik Wrana & Lynn A. Boatner & Ulrike Diebold & Martin Setvin & Cesare Franchini, 2022. "Competing electronic states emerging on polar surfaces," Nature Communications, Nature, vol. 13(1), pages 1-7, December.
  • Handle: RePEc:nat:natcom:v:13:y:2022:i:1:d:10.1038_s41467-022-31953-6
    DOI: 10.1038/s41467-022-31953-6
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    Cited by:

    1. Chao Yang & Rebecca Pons & Wilfried Sigle & Hongguang Wang & Eva Benckiser & Gennady Logvenov & Bernhard Keimer & Peter A. Aken, 2024. "Direct observation of strong surface reconstruction in partially reduced nickelate films," Nature Communications, Nature, vol. 15(1), pages 1-8, December.
    2. Lorenzo Celiberti & Dario Fiore Mosca & Giuseppe Allodi & Leonid V. Pourovskii & Anna Tassetti & Paola Caterina Forino & Rong Cong & Erick Garcia & Phuong M. Tran & Roberto De Renzi & Patrick M. Woodw, 2024. "Spin-orbital Jahn-Teller bipolarons," Nature Communications, Nature, vol. 15(1), pages 1-9, December.

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