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

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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.

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Authors and Affiliations

  1. School of Physics and Electronics Science, Hunan University, Changsha, Hunan, 410082, P.R. China

    Biao Liu, Li-Juan Wu, Yu-Qing Zhao, Ling-Zhi Wang & Meng-Qiu Cai

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  1. Biao Liu
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  2. Li-Juan Wu
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  3. Yu-Qing Zhao
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  4. Ling-Zhi Wang
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  5. Meng-Qiu Cai
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Correspondence to Meng-Qiu Cai.

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Liu, B., Wu, LJ., Zhao, YQ. et al. The interfacial properties of SrRuO3/MoS2 heterojunction: a first-principles study. Eur. Phys. J. B 89, 80 (2016). https://doi.org/10.1140/epjb/e2016-60584-x

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