Research Article

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2018, 11(4): 1834–1849

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https://doi.org/10.1007/s12274-017-1801-2

Electrical contacts in monolayer blue phosphorene devices

Jingzhen Li1,, Xiaotian Sun3,, Chengyong Xu4,, Xiuying Zhang1, Yuanyuan Pan1, Meng Ye1, Zhigang Song1, Ruge Quhe5, Yangyang Wang1,6, Han Zhang1, Ying Guo7, Jinbo Yang1,2, Feng Pan8 (*), and Jing Lu1,2 (*)

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1 State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, China
2 Collaborative Innovation Center of Quantum Matter, Beijing 100871, China
3 College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934, China
4 School of Science, Nanchang Institute of Technology, Nanchang 330099, China
5 State Key Laboratory of Information Photonics and Optical Communications and School of Science, Beijing University of Posts and Telecommunications, Beijing 100876, China
6 Nanophotonics and Optoelectronics Research Center, Qian Xuesen Laboratory of Space Technology, China Academy of Space Technology, Beijing 100094, China
7 School of Physics and Telecommunication Engineering, Shaanxi University of Technology, Hanzhong 723001, China
8 School of Advanced Materials, Peking University, Shenzhen Graduate School, Shenzhen 518055, China
Jingzhen Li, Xiaotian Sun and Chengyong Xu contributed equally to this work.

Keywords: monolayer blue phosphorene, interface property, Schottky barrier, field-effect transistor, density functional theory, quantum transport simulation
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ABSTRACT Semiconducting monolayer (ML) blue phosphorene (BlueP) shares similar stability with ML black phosphorene (BP), and it has recently been grown on an Au surface. Potential ML BlueP devices often require direct contact with metal to enable the injection of carriers. Using ab initio electronic structure calculations and quantum transport simulations, for the first time, we perform a systematic study of the interfacial properties of ML BlueP in contact with metals spanning a wide work function range in a field effect transistor (FET) configuration. ML BlueP has undergone metallization owing to strong interaction with five metals. There is a strong Fermi level pinning (FLP) in the ML BlueP FETs due to the metal-induced gap states (MIGS) with a pinning factor of 0.42. ML BlueP forms n-type Schottky contact with Sc, Ag, and Pt electrodes with electron Schottky barrier heights (SBHs) of 0.22, 0.22, and 0.80 eV, respectively, and p-type Schottky contact with Au and Pd electrodes with hole SBHs of 0.61 and 0.79 eV, respectively. The MIGS are eliminated by inserting graphene between ML BlueP and the metal electrode, accompanied by a transition from a strong FLP to a weak FLP. Our study not only provides insight into the ML BlueP–metal interfaces, but also helps in the design of ML BlueP devices.
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Electrical contacts in monolayer blue phosphorene devices. Nano Res. 2018, 11(4): 1834–1849 https://doi.org/10.1007/s12274-017-1801-2

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