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First-principles study on electronic properties of stanene/WS₂ monolayer

State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876, China

School of Ethnic Minority Education, Beijing University of Posts and Telecommunications, Beijing 102209, China

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Yin Li

School of Science, Beijing University of Posts and Telecommunications, Beijing 100876, China

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Jia Tang

State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876, China

School of Science, Beijing University of Posts and Telecommunications, Beijing 100876, China

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Liyuan Wu

State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876, China

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Dan Liang

State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876, China

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, and

Ru Zhang

State Key Laboratory of Information Photonics and Optical Communications, Beijing University of Posts and Telecommunications, Beijing 100876, China

School of Ethnic Minority Education, Beijing University of Posts and Telecommunications, Beijing 102209, China

E-mail Address: optics219@163.com

Corresponding author.

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https://doi.org/10.1142/S0217984917502712Cited by:8 (Source: Crossref)

Abstract

We present first-principles calculations to study the stability and electronic properties of stanene on WS₂ hybrid structure. It can be seen that the stanene is bound to WS₂ substrate with an interlayer distance of about 3.0 Å with a binding energy of −51.8 meV per Sn atom, suggesting a weak interaction between stanene and WS₂. The nearly linear band dispersion character of stanene can be preserved with a sizeable band gap in stanene on WS₂ hybrid structure due to the difference of onsite energy induced by WS₂ substrate, which is more helpful to the on–off current ratio in the logical devices made of stanene/WS₂. Moreover, the band gaps, the position of Dirac point with respect to Fermi level, and electron effective mass (EEM) of stanene on WS₂ hybrid structure can be tuned by the interlayer distance, external electric field and strains. These results indicate that stanene on WS₂ hybrid structure is a promising candidate for stanene-based field-effect transistor (FET) with a finite band gap and high carrier mobility.

Keywords:

References

1. K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva and A. A. Firsov, Science 306 (2004) 666. Web of Science, ADS, Google Scholar
2. A. H. Castro Neto, F. Guinea, N. M. R. Peres, K. S. Novoselov and A. K. Geim, Rev. Mod. Phys. 81 (2009) 109. Web of Science, ADS, Google Scholar
3. K. S. Novoselov, V. I. Fal’ko, L. Colombo, P. R. Gellert, M. G. Schwab and K. A. Kim, Nature 490 (2012) 192. Web of Science, ADS, Google Scholar
4. Y. Xu, B. H. Yan, H. J. Zhang, J. Wang, G. Xu, P. Z. Tang, W. H. Duan and S. C. Zhang, Phys. Rev. Lett. 111 (2013) 136804. Web of Science, ADS, Google Scholar
5. F. F. Zhu, W. J. Chen, Y. Xu, C. L. Gao, D. D. Guan and C. H. Liu, Nat. Mater. 14 (2015) 10. Google Scholar
6. C. C. Liu, H. Jiang and Y. Yao, Phys. Rev. B 84 (2011) 195430. Web of Science, ADS, Google Scholar
7. Y. Xu, Z. Gan and S. C. Zhang, Phys. Rev. Lett. 112 (2014) 226801. Web of Science, ADS, Google Scholar
8. J. Wang, Y. Xu and S. C. Zhang, Phys. Rev. B 90 (2014) 054503. Web of Science, ADS, Google Scholar
9. P. Vogt, P. De Padova, C. Quaresima, J. Avila, E. Frantzeskakis, M. C. Asensio, A. Resta, B. Ealet and G. Le Lay, Phys. Rev. Lett. 108 (2012) 155501. Web of Science, ADS, Google Scholar
10. Z. L. Liu, M. X. Wang, J. P. Xu, J. F. Ge, G. L. Lay, P. Vogt, D. Qian, C. L. Gao, C. H. Liu and J. F. Jia, New. J. Phys. 16 (2014) 075006. Web of Science, Google Scholar
11. M. E. Dàvilla, L. Xian, S. Cahangirov, A. Rubio and G. L. Lay, New. J. Phys. 16 (2014) 095002. Web of Science, Google Scholar
12. E. Bianco, S. Butler, S. Jiang, O. D. Restrepo, W. Windl and J. E. Goldberger, ACS Nano 7 (2013) 4414. Web of Science, Google Scholar
13. S. S. Jiang, S. Butler, E. Bianco, O. D. Restrepo, W. Windl and J. E. Goldberger, Nat. Commun. 5 (2014) 3389. Web of Science, ADS, Google Scholar
14. J. J. Zhao, H. S. Liu, Z. M. Yu, R. Quhe, S. Zhou, Y. Y. Wang, C. C. Liu, H. X. Zhong, N. N. Han, J. Lu, Y. G. Yao and K. H. Wu, Prog. Mater. Sci. 83 (2016) 24. Web of Science, Google Scholar
15. N. Gao, H. S. Liu, S. Zhou, Y. Z. Bai and J. J. Zhao, J. Phys. Chem. C 121 (2017) 5123. Web of Science, Google Scholar
16. Y. Fan, M. Zhao, Z. Wang, X. Zhang and H. Zhang, Appl. Phys. Lett. 98 (2011) 083103. Web of Science, Google Scholar
17. Y. Ma, Y. Dai, M. Guo, C. Niu and B. Huang, Nanoscale 3 (2011) 3883. Web of Science, ADS, Google Scholar
18. A. Du, S. Sanvito, Z. Li, D. Wang, Y. Jiao, T. Liao, Q. Sun, Y. H. Ng, Z. Zhu, R. Amal and S. C. Smith, J. Am. Chem. Soc. 134 (2012) 4393. Web of Science, Google Scholar
19. S. S. Li and C. W. Zhang, J. Appl. Phys. 114 (2013) 183709. Web of Science, ADS, Google Scholar
20. J. J. Zhu and U. Schwingenschlögl, J. Mater. Chem. 3 (2015) 3946. Google Scholar
21. S. S. Li, C. W. Zhang and W. X. Ji, Mater. Chem. Phys. 164 (2015) 150. Web of Science, Google Scholar
22. X. D. Li, S. Q. Wu, S. Zhou and Z. Z. Zhu, Nanoscale Res. Lett. 9 (2014) 258. Web of Science, ADS, Google Scholar
23. J. J. Zhu and U. Schwingenschlögl, Appl. Mater. Interfaces 6 (2014) 11675. Web of Science, Google Scholar
24. Y. Ding and Y. L. Wang, Appl. Phys. Lett. 103 (2013) 043114. Web of Science, Google Scholar
25. Z. Y. Ni, E. Minamitani, Y. Ando and S. Watanabe, Phys. Chem. Chem. Phys. 17 (2015) 19039. Web of Science, Google Scholar
26. L. Y. Li and M. Zhao, Phys. Chem. Chem. Phys. 15 (2013) 16853. Web of Science, Google Scholar
27. P. Hohenberg and W. Kohn, Phys. Rev. B 136 (1964) 864. Web of Science, ADS, Google Scholar
28. W. Kohn and L. J. Sham, Phys. Rev. 140 (1965) A1133. Web of Science, ADS, Google Scholar
29. G. Kresse and G. D. Joubert, Phys. Rev. B 59 (1999) 1758. Web of Science, ADS, Google Scholar
30. G. Kresse and J. Furthmuller, Comp. Mater. Sci. 6 (1996) 15. Web of Science, Google Scholar
31. G. Kresse and J. Furthmuller, Phys. Rev. B 54 (1996) 11169. Web of Science, ADS, Google Scholar
32. J. P. Perdew, K. Burke and M. Ernzerhof, Phys. Rev. Lett. 77 (1996) 3865. Web of Science, ADS, Google Scholar
33. D. M. Ceperley and B. J. Alder, Phys. Rev. Lett. 45 (1980) 566. Web of Science, ADS, Google Scholar
34. J. Klimes, D. R. Bowler and A. Michaelides, Phys. Rev. B 83 (2011) 195131. Web of Science, ADS, Google Scholar
35. H. J. Monkhorst and J. D. Pack, Phys. Rev. B 13 (1976) 5188. Web of Science, ADS, Google Scholar
36. M. Modarresi, A. Kakoee, Y. Mogulkoc and M. R. Roknabadi, Comp. Mater. Sci. 101 (2015) 164. Web of Science, Google Scholar
37. J. R. Yuan, X. H. Yan, C. J. Dai, Y. Xiao and Y. D. Guo, Surf. Rev. Lett. 22 (2015) 1550071. Link, Web of Science, ADS, Google Scholar
38. N. Gao, J. C. Li and Q. Jiang, Chem. Phys. 16 (2014) 11673. Web of Science, Google Scholar
39. S. Zhou and J. J. Zhao, J. Phys. Chem. C 121 (2017) 5123. Web of Science, Google Scholar