Abstract Reducing the Schottky barrier height (SBH) and even achieving the transition from Schottky contacts to Ohmic contacts are key challenges of achieving high energy efficiency and high-performance power devices. In this paper, the modulation effects of biaxial strain on the electronic properties and Schottky barrier of MoSi2N4 (MSN)/graphene and WSi2N4 (WSN)/graphene heterojunctions are examined by using first principles calculations. After the construction of heterojunctions, the electronic structures of MSN, WSN, and graphene are well preserved. Herein, we show that by applying suitable external strain to a heterojunction stacked by MSN or WSN — an emerging two-dimensional (2D) semiconductor family with excellent mechanical properties — and graphene, the heterojunction can be transformed from Schottky p-type contacts into n-type contacts, even highly efficient Ohmic contacts, making it of critical importance to unleash the tremendous potentials of graphene-based van der Waals (vdW) heterojunctions. Not only are these findings invaluable for designing high-performance graphene-based electronic devices, but also they provide an effective route to realizing dynamic switching either between n-type and p-type Schottky contacts, or between Schottky contacts and Ohmic contacts.
(Surface double layers, Schottky barriers, and work functions)
Fund: One of the authors, Qian Liang, would like to thank his supervisor, Professor Quan Xie for guidance, and also his friends and colleagues for their cooperation. Project supported by the Industry and Education Combination Innovation Platform of Intelligent Manufacturing and Graduate Joint Training Base at Guizhou University, China (Grant No. 2020-520000-83-01-324061), the National Natural Science Foundation of China (Grant No. 61264004), and the High-level Creative Talent Training Program in Guizhou Province, China (Grant No.[2015]4015).
Corresponding Authors:
Quan Xie
E-mail: qxie@gzu.edu.cn
Cite this article:
Qian Liang(梁前), Xiang-Yan Luo(罗祥燕), Yi-Xin Wang(王熠欣), Yong-Chao Liang(梁永超), and Quan Xie(谢泉) Modulation of Schottky barrier in XSi2N4/graphene (X=Mo and W) heterojunctions by biaxial strain 2022 Chin. Phys. B 31 087101
[1] Novoselov K S, Geim A K, Morozov S V, Jiang D E, Zhang Y, Dubonos S V, Grigorieva I V and Firsov A A 2004 Science306 666 [2] Akinwande D, Brennan C J, Bunch J S, Egberts P, Felts J R, Gao H, Huang R, Kim J S, Li T and Li Y 2017 Extreme Mechanics Letters13 42 [3] Mayorov A S, Gorbachev R V, Morozov S V, Britnell L, Jalil R, Ponomarenko L A, Blake P, Novoselov K S, Watanabe K and Taniguchi T 2011 Nano Lett.11 2396 [4] Haaf M, Schmiedl A, Schmedake T A, Powell D R, Millevolte A J, Denk M and West R 1998 J. Am. Chem. Soc.120 12714 [5] Liu L, Feng Y and Shen Z 2003 Phys. Rev. B68 104102 [6] Watanabe K, Taniguchi T and Kanda H 2004 Nat. Mater.3 404 [7] Shi Y, Hamsen C, Jia X, Kim K K, Reina A, Hofmann M, Hsu A L, Zhang K, Li H and Juang Z Y 2010 Nano Lett.10 4134 [8] Manzeli S, Ovchinnikov D, Pasquier D, Yazyev O V and Kis A 2017 Nat. Rev. Mater.2 1 [9] Li Y, Wang H, Xie L, Liang Y, Hong G and Dai H 2011 J. Am. Chem. Soc.133 7296 [10] Ramakrishna Matte H, Gomathi A, Manna A K, Late D J, Datta R, Pati S K and Rao C 2010 Angewandte Chemie International Edition49 4059 [11] Li H, Lu G, Wang Y, Yin Z, Cong C, He Q, Wang L, Ding F, Yu T and Zhang H 2013 Small9 1974 [12] Zhao W, Ghorannevis Z, Chu L, Toh M, Kloc C, Tan P H and Eda G 2013 ACS Nano7 791 [13] Lembke D, Bertolazzi S and Kis A 2015 Acc. Chem. Res.48 100 [14] Li T and Galli G 2007 J. Phys. Chem. C111 16192 [15] Pham T, Li G, Bekyarova E, Itkis M E and Mulchandani A 2019 ACS Nano13 3196 [16] Liu W, Luo C, Tang X, Peng X and Zhong J 2019 AIP Adv.9 045222 [17] Si C, Lin Z, Zhou J and Sun Z 2016 2D Mater.4 015027 [18] Huang Z, Han W, Tang H, Ren L, Chander D S, Qi X and Zhang H 2015 2D Mater.2 035011 [19] Roy K, Padmanabhan M, Goswami S, Sai T P, Ramalingam G, Raghavan S and Ghosh A 2013 Nat. Nanotechnol.8 826 [20] Hong Y L, Liu Z, Wang L, Zhou T, Ma W, Xu C, Feng S, Chen L, Chen M L and Sun D M 2020 Science369 670 [21] Mortazavi B, Javvaji B, Shojaei F, Rabczuk T, Shapeev A V and Zhuang X 2021 Nano Energy82 105716 [22] Wu Q, Cao L, Ang Y S and Ang L K 2021 Appl. Phys. Lett.118 113102 [23] Jian C C, Ma X, Zhang J and Yong X 2021 J. Phys. Chem. C125 15185 [24] Zang Y, Wu Q, Du W, Dai Y, Huang B and Ma Y 2021 Phys. Rev. Mater.5 045801 [25] Qian W, Chen Z, Zhang J and Yin L 2022 J. Mater. Sci. Technol.99 215 [26] Kresse G and Hafner J 1993 Phys. Rev. B47 558 [27] Kresse G and Hafner J 1994 Phys. Rev. B49 14251 [28] Blöchl P E 1994 Phys. Rev. B50 17953 [29] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett.77 3865 [30] Grimme S, Antony J, Ehrlich S and Krieg H 2010 J. Chem. Phys.132 154104 [31] Yang C, Song Z, Sun X and Lu J 2021 Phys. Rev. B103 035308 [32] Li Q, Zhou W, Wan X and Zhou J 2021 Physica E131 114753 [33] Li H, Zhou Z and Wang H 2020 Nanotechnology31 335201 [34] Gao X, Shen Y, Ma Y, Wu S and Zhou Z 2019 Comput. Mater. Sci.170 109200 [35] Liu X, Zhang Z, Luo Z, Lv B and Ding Z 2019 Nanomaterials9 1674 [36] Ahn J H and Je J H 2012 J. Phys. D:Appl. Phys.45 103001
Altmetric calculates a score based on the online attention an article receives. Each coloured thread in the circle represents a different type of online attention. The number in the centre is the Altmetric score. Social media and mainstream news media are the main sources that calculate the score. Reference managers such as Mendeley are also tracked but do not contribute to the score. Older articles often score higher because they have had more time to get noticed. To account for this, Altmetric has included the context data for other articles of a similar age.
