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

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

The European Physical Journal B: Condensed Matter and Complex Systems, 2016, vol. 89, issue 3, 1-5

Abstract: 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.

Keywords: Solid; State; and; Materials (search for similar items in EconPapers)
Date: 2016
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DOI: 10.1140/epjb/e2016-60584-x

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