Skip to main content
SpringerLink
Log in

The interfacial properties of edge-contact heterojunction of SnSSe/metal from first principles

  • Published:
Applied Physics A Aims and scope Submit manuscript

Abstract

Obtaining a low Schottky barrier remains a challenge in edge-contact heterojunction. We investigate the electronic properties of SnSSe with eight metals (Ag, Al, Au, Cu, Nb, Ni, Ta, and Ti). It is found that a low n-type Schottky barrier forms in all edge-contact heterojunctions and the different heterojunctions exist in different Schottky barrier heights (SBH) with 0.187–0.287 eV. Owing to the anisotropy of SnSSe, the different electronic properties of the heterojunctions are exhibited with SnSSe in different transport directions. Furthermore, we use the external electric field to modulate the Schottky barrier of all heterojunctions and found a shift in the contact type of heterojunction. A weak Fermi level pinning effect makes most heterojunctions achieve Ohmic contact under the electric field, which indicates better electronic transport. The results provide a way to design edge-contact electronic devices with tunable Schottky contact by the electric field.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6
Fig. 7
Fig. 8

Similar content being viewed by others

References

  1. K.S. Novoselov, A.K. Geim, S.V. Morozov, D. Jiang, Y. Zhang, S.V. Dubonos, I.V. Grigorieva, A.A. Firsov, Electric field effect in atomically thin carbon films. Science 306, 666–669 (2004)

    Article  ADS  Google Scholar 

  2. A.B. Preobrajenski, S.A. Krasnikov, A.S. Vinogradov, Adsorption-induced gap states of h-BN on metal surfaces. Phys. Rev. B 77, 085421 (2008)

    Article  ADS  Google Scholar 

  3. Q.H. Wang, K. Kalantar-Zadeh, A. Kis, J.N. Coleman, M.S. Strano, Electronics and optoelectronics of two-dimensional transition metal dichalcogenides. Nat. Nanotechnol. 7, 699–712 (2012)

    Article  ADS  Google Scholar 

  4. H. Li, P.P. Xu, J.K. Liang, F.B. Liu, J. Luo, J. Lu, Ohmic contact in graphene/SnSe2 Van Der Waals heterostructures and its device performance from ab initio simulation. J. Mater. Sci. 55, 4321–4331 (2020)

    Article  ADS  Google Scholar 

  5. D.J. Late, Y.K. Huang, B. Liu, J. Acharya, S.N. Shirodkar, J.J. Luo, A.M. Yan, D. Charles, U.V. Waghmare, V.P. Dravid, C.N.R. Rao, Sensing behavior of atomically thin-layered MoS2 transistors. ACS Nano 7, 4879–4891 (2013)

    Article  Google Scholar 

  6. J.F. Li, H.Y. Luo, B. Zhai, R.G. Lu, Z.N. Guo, H. Zhang, Y. Liu, Black phosphorus: a two-dimension saturable absorption material for mid-infrared Q-switched and mode-locked fiber lasers. Sci. Rep. 6, 30361 (2016)

    Article  ADS  Google Scholar 

  7. S.C. Jing, Y. Wang, W. Chen, J.H. Pan, W. Li, B.A. Bian, B. Liao, Device simulation of 5.1 nm high-performance field-effect transistors based on two-dimensional boron phosphide. J. Phys. Chem. C. 126, 12091–12099 (2022)

    Article  Google Scholar 

  8. L. Ju, M. Bie, X.W. Zhang, X.M. Chen, L.Z. Kou, Two-dimensional Janus van der Waals heterojunctions: a review of recent research progresses. Front. Phys. 16, 1–16 (2021)

    Article  Google Scholar 

  9. M. Bernardi, M. Palummo, J.C. Grossman, Extraordinary sunlight absorption and one nanometer thick photovoltaics using two-dimensional monolayer materials. Nano Lett. 13, 3664–3670 (2013)

    Article  ADS  Google Scholar 

  10. C. Kim, I. Moon, D. Lee, M.S. Choi, F. Ahmed, S. Nam, Y. Cho, H.J. Shin, S. Park, W.J. Yoo, Fermi level pinning at electrical metal contacts of monolayer molybdenum dichalcogenides. ACS Nano 11, 1588–1596 (2017)

    Article  Google Scholar 

  11. Y.C. Cheng, Z.Y. Zhu, M. Tahir, U. Schwingenschlogl, Spin-orbit-induced spin splittings in polar transition metal dichalcogenide monolayers. EPL 102, 57001 (2013)

    Article  ADS  Google Scholar 

  12. S.D. Guo, X.S. Guo, R.Y. Han, Y. Deng, Predicted Janus SnSSe monolayer: a comprehensive first-principles study. Phys. Chem. Chem. Phys. 21, 24620–24628 (2019)

    Article  Google Scholar 

  13. W.Z. Zhou, J.Y. Chen, Z.X. Yang, J.W. Liu, F.P. Ouyang, Geometry and electronic structure of monolayer, bilayer, and multilayer Janus WSSe. Phys. Rev. B 99, 075160 (2019)

    Article  ADS  Google Scholar 

  14. X.L. Zhang, Y. Cui, L.P. Sun, M.Y. Li, J.Y. Du, Y.C. Huang, Stabilities, and electronic and piezoelectric properties of two-dimensional tin dichalcogenide derived Janus monolayers. J. Mater. Chem. C 7, 13203–13210 (2019)

    Article  Google Scholar 

  15. H. Nautiyal, P. Scardi, First Principles Study of SnX 2 (X=S, Se) and Janus SnSSe Monolayer for Thermoelectric Applications. Nanotechnology 33, 325402 (2022)

  16. H.T.T. Nguyen, V.V. Tuan, C.V. Nguyen, H.V. Phuc, H.D. Tong, S.T. Nguyen, N.N. Hieu, Electronic and optical properties of a Janus SnSSe monolayer: effects of strain and electric field. Phys. Chem. Chem. Phys. 22, 11637–11643 (2020)

    Article  Google Scholar 

  17. W.X. Zhang, J.H. Zhang, C. He, T.T. Li, Constructing Janus SnSSe and graphene heterostructures as promising anode materials for Li-ion batteries. Int. J. Energy Res. 46, 267–277 (2022)

    Article  Google Scholar 

  18. Y. Guo, G.Y. Zhao, F. Pan, R.G. Quhe, J. Lu, The interfacial properties of monolayer MX-metal contacts. J. Electron. Mater. 51, 4824–4835 (2022)

    Article  ADS  Google Scholar 

  19. W. Li, J.L. Wei, B.A. Bian, B. Liao, G.L. Wang, The effect of different covalent bond connections and doping on transport properties of planar graphene/MoS2/graphene heterojunctions. Phys. Chem. Chem. Phys. 23, 6871–6879 (2021)

    Article  Google Scholar 

  20. J. Sun, N. Lin, C. Tang, H.Y. Wang, H. Ren, X. Zhao, First principles studies on electronic and transport properties of edge contact graphene-MoS2 heterostructure. Comput. Mater. Sci. 133, 137–144 (2017)

    Article  Google Scholar 

  21. S.C. Jing, W. Chen, J.H. Pan, W. Li, B.A. Bian, B. Liao, G.L. Wang, Electronic properties of Borophene/InSe van der Waals heterostructures. Mater. Sci. Semiconductor Process. 146, 106673 (2022)

    Article  Google Scholar 

  22. S. Lee, H. Choi, I. Moon, H. Shin, K. Watanabe, T. Taniguchi, W.J. Yoo, Contact resistivity in edge-contacted graphene field effect transistors. Adv. Electron. Mater. 8, 2101169 (2022)

    Article  Google Scholar 

  23. W. Li, J.L. Wei, B.A. Bian, B. Liao, G.L. Wang, Tunable Schottky barrier in planar two-dimensional metal/black phosphorus heterojunctions. Phys. E Low-Dimensional Syst. Nanostruct. 130, 114702 (2021)

    Article  Google Scholar 

  24. M.H.D. Guimaraes, H. Gao, Y.M. Han, K. Kang, S. Xie, C.J. Kim, D.A. Muller, D.C. Ralph, J. Park, Atomically thin ohmic edge contacts between two-dimensional materials. ACS Nano 10, 6392–6399 (2016)

    Article  Google Scholar 

  25. W.S. Dong, P.B. Littlewood, Quantum electron transport in ohmic edge contacts between two-dimensional materials. ACS Appl. Electron. Mater. 1, 799–803 (2019)

    Article  Google Scholar 

  26. G.R. Su, S. Yang, Y.D. Jiang, J.T. Li, S. Li, J.C. Ren, W. Liu, Modeling chemical reactions on surfaces: the roles of chemical bonding and van der Waals interactions. Prog. Surf. Sci. 94, 100561 (2019)

    Article  Google Scholar 

  27. J.J. Zhou, L. Meng, J.J. He, C.S. Liu, X.H. Yan, Band structures transformation in two-faced janus monolayer SnXY(X, Y = O, S, Se, and Te). J. Electron. Mater. 50, 2504–2509 (2021)

    Article  ADS  Google Scholar 

  28. W. Chen, J.H. Pan, S.C. Jing, W. Li, B.A. Bian, B. Liao, G.L. Wang, Influence of contact interface on electric transport in in-plane graphene/MoSSe heterojunction. Chem. Phys. 562, 111633 (2022)

    Article  Google Scholar 

  29. J. Liu, J.C. Ren, T. Shen, X.Y. Liu, C.J. Butch, S. Li, W. Liu, Asymmetric Schottky contacts in van der Waals Metal-semiconductor-metal structures based on two-dimensional janus materials. Research 2020, 6727524 (2020)

  30. H.-Q. Xie, K.-Y. Cui, X.-Y. Cai, Z.-Q. Fan, P-type doping induced performance improvement of two-dimensional SiC transistors with 1T-phase MoS2 electrode. Phys. Lett. A 431, 128007 (2022)

    Article  Google Scholar 

  31. Y. Guo, F. Pan, M. Ye, X. Sun, Y. Wang, J. Li, X. Zhang, H. Zhang, Y. Pan, Z. Song, Monolayer Bismuthene-metal contacts: a theoretical study. Acs Appl. Mater. Interfaces 2017, 23128–23140 (2017)

    Article  Google Scholar 

  32. J. Wei, W. Li, B. Liao, B. Bian, Electronic and optical properties of vertical borophene/MoS2 heterojunctions. Mater. Chem. Phys. 252, 123305 (2020)

    Article  Google Scholar 

  33. Y.W. Xiao, T. Huang, Y. Si, H.Y. Wu, G.F. Huang, Effects of electric field and strain on the Schottky barrier of the bilayer van der Waals heterostructures of graphene and pure/hydrogenated PC3 monolayer. Phys E Low-dimensional Syst Nanostruct 133, 114785 (2021)

    Article  Google Scholar 

  34. A. Wz, A. Gh, Z. Rui, A. Jx, A. Xy, A. Hl, Effects of vertical strain and electrical field on electronic properties and Schottky contact of graphene/MoSe 2 heterojunction. J. Phys. Chem. Solids 157, 110189 (2021)

    Article  Google Scholar 

  35. X. Liu, Z. Zhang, B. Lv, Z. Ding, Z. Luo, The external electric-field-induced Schottky-to ohmic contact transition in graphene/As2S3 interface: a study by the first principles. Int. J. Energy Res. 45, 4272–4334 (2020)

    Google Scholar 

Download references

Acknowledgements

Thanks for the help of the teachers and friends, as well as the authors of various references.

Funding

This research did not receive any specific grant from funding agencies in the public, commercial, or not-for-profit sectors.

Author information

Authors and Affiliations

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

    Yu Wang, Wen Chen, Sicheng Jing, Jinghua Pan, Danni Wang, Zelong Ma & Baoan Bian

  2. College of Nuclear Science and Technology, Beijing Normal University, Beijing, 100875, China

    Yu Wang

Authors
  1. Yu Wang
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Wen Chen
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Sicheng Jing
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. Jinghua Pan
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. Danni Wang
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. Zelong Ma
    View author publications

    You can also search for this author in PubMed Google Scholar

  7. Baoan Bian
    View author publications

    You can also search for this author in PubMed Google Scholar

Contributions

YW: methodology, investigation, formal analysis, writing—original draft. WC: validation, formal analysis. SJ: validation, formal analysis. JP: validation, formal analysis. DW: validation, formal analysis. ZM: validation, formal analysis. BB: conceptualization, supervision, writing—review and editing.

Corresponding author

Correspondence to Baoan Bian.

Ethics declarations

Conflict of interest

There are no conflicts to declare.

Additional information

Publisher's Note

Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Rights and permissions

Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Wang, Y., Chen, W., Jing, S. et al. The interfacial properties of edge-contact heterojunction of SnSSe/metal from first principles. Appl. Phys. A 129, 277 (2023). https://doi.org/10.1007/s00339-023-06568-3

Download citation

  • Received:

  • Accepted:

  • Published:

  • DOI: https://doi.org/10.1007/s00339-023-06568-3

Keywords

Search

Navigation