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Nano Research

Article Title

Electrical contacts in monolayer blue phosphorene devices

Authors

Jingzhen Li, State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, China
Xiaotian Sun, College of Chemistry and Chemical Engineering, and Henan Key Laboratory of Function-Oriented Porous Materials, Luoyang Normal University, Luoyang 471934, China
Chengyong Xu, School of Science, Nanchang Institute of Technology, Nanchang 330099, China
Xiuying Zhang, State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, China
Yuanyuan Pan, State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, China
Meng Ye, State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, China
Zhigang Song, State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, China
Ruge Quhe, State Key Laboratory of Information Photonics and Optical Communications and School of Science, Beijing University of Posts and Telecommunications, Beijing 100876, China
Yangyang Wang, State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, China Nanophotonics and Optoelectronics Research Center, Qian Xuesen Laboratory of Space Technology, China Academy of Space Technology, Beijing 100094, China
Han Zhang, State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, China
Ying Guo, School of Physics and Telecommunication Engineering, Shaanxi University of Technology, Hanzhong 723001, China
Jinbo Yang, State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, China Collaborative Innovation Center of Quantum Matter, Beijing 100871, China
Feng Pan, School of Advanced Materials, Peking University, Shenzhen Graduate School, Shenzhen 518055, China
Jing Lu, State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, China Collaborative Innovation Center of Quantum Matter, Beijing 100871, China

Keywords

monolayer blue phosphorene, interface property, Schottky barrier, field-effect transistor, density functional theory, quantum transport simulation

Abstract

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.

Graphical Abstract

Publisher

Tsinghua University Press

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