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Interfacial properties in planar SiC/2D metals from first principles

  • Regular Article - Solid State and Materials
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Abstract

We construct the in-plane heterojunctions of Boroβ12/SiC and Graphene/SiC to study the effect of different interface contacts on the electronic properties using first-principle calculations. The metalization of SiC at the contact interface is found in both heterojunctions, and two heterojunctions show high charge inject efficiency. The Boroβ12/SiC possesses p-type Schottky contact, while Graphene/SiC shows n-type Schottky contact. When the electric field is applied to two heterojunctions, the Schottky barrier height and contact type are changed, and the Ohmic contact is achieved at negative electric field. The results propose a way to design planar SiC-based electronic device with tunable interface contact.

Graphical abstract

Figure-projected local density of states and transmission spectra of (a) Boroβ12/SiC and (b) Graphene/SiC. The Boroβ12/SiC shows p-type Schottky contact with SBH of 1.071 eV, while Graphene/SiC presents n-type Schottky contact with SBH of 1.021 eV. It can be seen that the metalization of SiC at contact interface in Boroβ12/SiC is more clear than Graphene/SiC. There are fewer metal-induced gap states in the bandgap in Graphene/SiC than Boroβ12/SiC, suggesting the better electric contact in Graphene/SiC. Combined with ΦTB and SBH, Graphene/SiC has a good electronic transport.

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Data Availability Statement

This manuscript has no associated data or the data will not be deposited. [Authors’ comment: Data will be made available on request].

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Acknowledgements

This work is supported by the fund of innovation center of radiation application under grant no. KFZC2021020801, the Fundamental Research Funds for the Central Universities under grant no.2021NTST14 and National Natural Science Foundation of China under grant no.12205016.

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Authors and Affiliations

  1. Key Laboratory of Beam Technology of Ministry of Education, College of Nuclear Science and Technology, Beijing Normal University, Beijing, 100875, China

    Xiao Ouyang & Bin Liao

  2. School of Science, Jiangnan University, Wuxi, 214122, China

    Baoan Bian

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  1. Xiao Ouyang
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  2. Bin Liao
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XO: methodology, calculation, formal analysis, writing original draft. BL: conceptualization, supervision, editing. BB: conceptualization, formal analysis, editing.

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Correspondence to Bin Liao or Baoan Bian.

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Ouyang, X., Liao, B. & Bian, B. Interfacial properties in planar SiC/2D metals from first principles. Eur. Phys. J. B 97, 29 (2024). https://doi.org/10.1140/epjb/s10051-024-00664-w

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