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The interfacial properties of SrRuO3/MoS2 heterojunction: a first-principles study

Author

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  • Biao Liu

    (School of Physics and Electronics Science, Hunan University)

  • Li-Juan Wu

    (School of Physics and Electronics Science, Hunan University)

  • Yu-Qing Zhao

    (School of Physics and Electronics Science, Hunan University)

  • Ling-Zhi Wang

    (School of Physics and Electronics Science, Hunan University)

  • Meng-Qiu Cai

    (School of Physics and Electronics Science, Hunan University)

Abstract

First-principles calculation was used to study the interfacial properties of the SrRuO3 (1 1 1)/MoS2(√3 × √3) heterojunction. It is found that the huge magnetic moments in of monolayer MoS2 largely originate from the Ru-S hybridization for the Ru-terminated interface. Moreover, for the SrO-terminated interface, we studied mainly the metal and semiconductor contact characteristic. The calculated results show that the Schottky barrier height can be significantly reduced to zero for the SrO-terminated interface. Schottky barrier heights dominate the transport behavior of the SrRuO3/MoS2 interface. Our results not only have potential applications in spintronics devices, but also are in favour of the scaling of field effect transistors.

Suggested Citation

  • Biao Liu & Li-Juan Wu & Yu-Qing Zhao & Ling-Zhi Wang & Meng-Qiu Cai, 2016. "The interfacial properties of SrRuO3/MoS2 heterojunction: a first-principles study," The European Physical Journal B: Condensed Matter and Complex Systems, Springer;EDP Sciences, vol. 89(3), pages 1-5, March.
  • Handle: RePEc:spr:eurphb:v:89:y:2016:i:3:d:10.1140_epjb_e2016-60584-x
    DOI: 10.1140/epjb/e2016-60584-x
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    Keywords

    Solid State and Materials;

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