Abstract
The nature of the top-contact formed by the monolayer Rhenium disulphide (ML ReS2) and common metals of Au, Ag and Pt are evaluated by using first-principles density functional theory calculations. The charge transfer, potential barrier and atomic orbital overlap between the ML ReS2 and metals are investigated to understand the interfacial properties of ML ReS2-metal contacts. It is found that ML ReS2 exhibits less bonding with Au and Ag, leading to little perturbation of its electronic structures, and forming a larger Schottky contact and a higher tunnel barrier at the interfaces compared with the bonding of ReS2 on Pt surface. The results provide an insight into the ML ReS2 contact with metals, which have been demonstrated to be promising in the design of ML ReS2 based nano-electronic devices with high performance.
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Aslan, O.B., Chenet, D.A., van der Zande, A.M., Hone, J.C., Heinz, T.F.: Linearly polarized excitons in single- and few-layer ReS2 crystals. ACS Photon. 3, 96–101 (2016)
Brandbyge, M., Mozos, J.L., Ordejon, P., Taylor, J., Stokbro, K.: Density-functional method for nonequilibrium electron transport. Phys. Rev. B 65, 165401 (2002)
Chanana, A., Mahapatra, S.: Theoretical insights to niobium-doped monolayer MoS2–gold contact. IEEE Trans. Electron Dev. 62, 2346–2351 (2015)
Corbet, C.M., Sonde, S.S., Tutuc, E., Banerjee, S.K.: Improved contact resistance in ReSe2 thin film field-effect transistors. Appl. Phys. Lett. 108, 162104 (2016)
Feng, L.P., Su, J., Li, D.P., Liu, Z.T.: Tuning the electronic properties of Ti–MoS2 contacts through introducing vacancies in monolayer MoS2. Phys. Chem. Chem. Phys. 17, 6700–6704 (2015)
Friemelt, K., Lux-Steiner, M.C., Bucher, E.: Optical properties of the layered transition-metal-dichalcogenide ReS2: anisotropy in the van der Waals plane. J. Appl. Phys. 74, 5266–5268 (1993)
Geim, A.K., Novoselov, S.K.: The rise of graphene. Nat. Mater. 6, 183–191 (2007)
Grimme, S., Antony, J., Ehrlich, S., Krieg, H.: A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu. J. Chem. Phy. 132, 154104 (2010)
Gutierrez-Lezama, I., Reddy, B.A., Ubrig, N., Morpurgo, A.F.: Electroluminescence from indirect band gap semiconductor ReS2. 2D Materials 3, 045016 (2016)
Huang, L., Li, B., Zhong, M.Z., Wei, Z.M., Li, J.B.: Tunable schottky barrier at MoSe2/metal interfaces with a buffer layer. J. Phys. Chem. C 121, 9305–9311 (2017)
Kang, J.H., Liu, W., Banerjee, K.: High-performance MoS2 transistors with low-resistance molybdenum contacts. Appl. Phys. Lett. 104, 093106 (2014)
Li, L., Yu, Y., Ye, G.J., Ge, Q., Ou, X., Wu, H., Feng, D.L., Chen, X.H., Zhang, Y.B.: Black phosphorus field-effect transistors. Nat. Nanotechnol. 9, 372–377 (2014)
Li, D., Cheng, R., Zhou, H., Wang, C., Yin, A., Chen, Y., Weiss, N.O., Huang, Y., Duan, X.F.: Electric-field-induced strong enhancement of electroluminescence in multilayer molybdenum disulfide. Nat. Commun. 6, 7509 (2015)
Lin, Y.-C., Komsa, H.-P., Yeh, C.-H., Bjorkman, T., Liang, Z.-Y., Ho, C.-H., Huang, Y.-S., Chiu, P.-W., Krasheninnikov, A.V., Suenaga, K.: Single-layer ReS2: two-dimensional semiconductor with tunable in-plane anisotropy. ACS Nano 9, 11249–11257 (2015)
Liu, E., Fu, Y., Wang, Y., Feng, Y., Liu, H., Wan, X., Zhou, W., Wang, B.G., Shao, L.B., Ho, C.H., Huang, Y.S., Cao, Z.Y., Wang, L.G., Li, A.D., Zeng, J.W., Song, F.Q., Wang, X.R., Shi, Y., Yuan, H.T., Hwang, H.Y., Cui, Y., Miao, F., Xing, D.Y.: Integrated digital inverters based on two-dimensional anisotropic ReS2 field-effect transistors. Nat. Commun. 6, 6991 (2015)
Liu, E., Long, M., Zeng, J., Luo, W., Wang, Y., Pan, Y., Zhou, W., Wang, B.G., Hu, W.D., Ni, Z.H., You, Y.M., Zhang, X.A., Qin, S.Q., Shi, Y., Watanabe, K., Taniguchi, T., Yuan, H.T., Hwang, H.Y., Cui, Y., Miao, F., Xing, D.Y.: High responsivity phototransistors based on few-layer ReS2 for weak signal detection. Adv. Funct. Mater. 26, 1938–1944 (2016)
Lopez-Sanchez, O., Llado, E.A., Koman, V., Morral, A.F.I., Radenovic, A., Kis, A.: Light generation and harvesting in a van der Waals heterostructure. ACS Nano 8, 3042–3048 (2014)
Mak, K.F., Lee, C., Hone, J., Shan, J., Heinz, T.F.: Atomically thin MoS2: a new direct-gap semiconductor. Phys. Rev. Lett. 105, 136805 (2010)
Met, E., Demiroglu, I., Danisman, M.F., Ellialtioglu, S.: Pentacene multilayers on Ag (111) surface. J. Chem. Phys. C 114, 2724–2729 (2010)
Murray, H.H., Kelty, S.P., Chianelli, R.R., Day, C.S.: Structure of Rhenium Disulfide. Inorgan. Chem. 33, 4418–4420 (1994)
Pan, Y., Li, S., Ye, M., Quhe, R., Song, Z., Wang, Y., Zheng, J.X., Pan, F., Guo, W.L., Yang, J.B., Lu, J.: Interfacial properties of monolayer MoSe2–metal contacts. J. Phys. Chem. C 120, 13063–13070 (2016)
Perdew, J.P., Burke, K., Ernzerhof, M.: Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865–3868 (1996)
Qiao, J., Kong, X., Hu, Z.-X., Yang, F., Ji, W.: High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus. Nat. Commun. 5, 4475 (2014)
Radisavljevic, B., Radenovic, A., Brivio, J., Giacometti, V., Kis, A.: Single-layer MoS2 transistors. Nat. Nanotechnol. 6, 147–150 (2011)
Schultz, B.J., Jaye, C., Lysaght, P.S., Fischer, D.A., Prendergast, D., Banerjee, S.: On chemical bonding and electronic structure of graphene–metal contacts. Chem. Sci. 4, 494–502 (2013)
Seley, D.B., Nath, M., Parkinson, B.A.: ReSe2 nanotubes synthesized from sacrificial templates. J. Mater. Chem. 19, 1532–1534 (2009)
Shim, J., Oh, A., Kang, D.H., Oh, S., Jang, S.K., Jeon, J., Jeon, M.H., Kim, M., Choi, C., Lee, J., Lee, S., Yeom, G.Y., Song, Y.J., Park, J.H.: High-performance 2D Rhenium Disulfide (ReS2) transistors and photodetectors by oxygen plasma treatment. Adv Mater. 28, 6985–6992 (2016)
Su, J., Feng, L.P., Zeng, W., Liu, Z.T.: Controlling the electronic and geometric structures of 2D insertions to realize high performance metal/insertion–MoS2 sandwich interfaces. Nanoscale 9, 7429–7441 (2017)
Taylor, J., Guo, H., Wang, J.: Ab initio modeling of quantum transport properties of molecular electronic devices. Phys. Rev. B 63, 245407 (2001)
Tongay, S., Sahin, H., Ko, C., Luce, A., Fan, W., Liu, K., Zhou, J., Huang, Y.S., Ho, C.H., Yan, J.Y.: Monolayer behaviour in bulk ReS2 due to electronic and vibrational decoupling. Nat. Commun. 5, 3252 (2014)
Tran, V., Soklaski, R., Liang, Y., Yang, L.: Layer-controlled band gap and anisotropic excitons in few-layer black phosphorus. Phys. Rev. B 89, 235319 (2014)
Wang, Q.H., Kalantar-Zadeh, K., Kis, A., Coleman, J.N., Strano, M.S.: Electronics and optoelectronics of two-dimensional transition metal dichalcogenides. Nat. Nanotechnol. 7, 699–712 (2012)
Wen, W., Zhu, Y., Liu, X., Hsu, H.P., Fei, Z., Chen, Y., Wang, X.S., Zhang, M., Lin, K.H., Huang, F.S., Wang, Y.P., Huang, Y.S., Ho, C.H., Tan, P.H., Jin, C.H., Xie, L.M.: Anisotropic spectroscopy and electrical properties of 2D ReS2 (1 − x) Se2x alloys with distorted 1T structure. Small 13, 1603788 (2017)
Xia, F., Wang, H., Jia, Y.: Rediscovering black phosphorus as an anisotropic layered material for optoelectronics and electronics. Nat. Commun. 5, 4458 (2014)
Yang, S., Tongay, S., Li, Y., Yue, Q., Xia, J.B., Li, S.S., Li, J.B., Wei, S.H.: Layer-dependent electrical and optoelectronic responses of ReSe2 nanosheet transistors. Nanoscale 6, 7226–7231 (2014)
Yu, W., Zhu, Z., Niu, C.Y., Li, C., Cho, J., Jia, Y.: Anomalous doping effect in black phosphorene using first-principles calculations. Phys. Chem. Chem. Phys. 17, 16351–16358 (2015)
Zhang, Y., Chang, T.-R., Zhou, B., Cui, Y.-T., Yan, H., Liu, Z., Schmitt, F., Lee, J., Moore, R., Chen, Y.L.: Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe2. Nat. Nanotechnol. 9, 111–115 (2014)
Zhang, E., Jin, Y., Yuan, X., Wang, W., Zhang, C., Tang, L., Liu, S.S., Zhou, P., Hu, W.D., Xiu, F.X.: ReS2-based field-effect transistors and photodetectors. Adv. Funct. Mater. 25, 4076–4082 (2015)
Zhong, H., Quhe, R., Wang, Y., Ni, Z., Ye, M., Song, Z., Pan, Y.Y., Yang, J.B., Yang, L., Lei, M., Shi, J.J., Lu, J.: Interfacial properties of monolayer and bilayer MoS2 contacts with metals: beyond the energy band calculations. Sci. Rep. 6, 21786 (2016)
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This work is supported by the Doctoral Starting Foundation of Wuxi Institute of Technology (No. 30593117033), and University Natural Science Foundation of Jiangsu Province (No. 17KJD470004).
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Wang, F., Yang, Z. & Song, R. Monolayer Rhenium disulphide contacts with Au, Ag, and Pt. Opt Quant Electron 50, 241 (2018). https://doi.org/10.1007/s11082-018-1510-4
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DOI: https://doi.org/10.1007/s11082-018-1510-4