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Nano Research

Article Title

Three-layer phosphorene-metal interfaces

Authors

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
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
Ying Guo, School of Physics and Telecommunication Engineering, Shaanxi Sci-Tech University, Hanzhong 723001, China
Han Zhang, State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, China
Yang Dan, 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
Jingzhen Li, State Key Laboratory for Mesoscopic Physics and Department of Physics, Peking University, Beijing 100871, 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
Wanlin Guo, Key Laboratory for Intelligent Nano Materials and Devices of the Ministry of Education, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, 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

three-layer phosphorene, interfacial properties, Schottky barrier height, density functional theory, quantum transport simulation

Abstract

ABSTRACT Phosphorene has attracted much attention recently as an alternative channel material in nanoscale electronic and optoelectronic devices due to its high carrier mobility and tunable direct bandgap. Compared with monolayer (ML) phosphorene, few-layer (FL) phosphorene is easier to prepare, is more stable in experiments, and is expected to form a smaller Schottky barrier height (SBH) at the phosphorene-metal interface. Using ab initio electronic structure calculations and quantum transport simulations, we perform a systematic study of the interfacial properties of three-layer (3L) phosphorene field effect transistors (FETs) contacted with several common metals (Al, Ag, Au, Cu, Ti, Cr, Ni, and Pd) for the first time. The SBHs obtained in the vertical direction from projecting the band structures of the 3L phosphorene-metal systems to the left bilayer (2L) phosphorenes are comparable with those obtained in the lateral direction from the quantum transport simulations for 2L phosphorene FETs. The quantum transport simulations for the 3L phosphorene FETs show that 3L phosphorene forms n-type Schottky contacts with electron SBHs of 0.16 and 0.28 eV in the lateral direction, when Ag and Cu are used as electrodes, respectively, and p-type Schottky contacts with hole SBHs of 0.05, 0.11, 0.20, 0.30, 0.30, and 0.31 eV in the lateral direction when Cr, Pd, Ni, Ti, Al, and Au are used as electrodes, respectively. The calculated polarity and SBHs of the 3L phosphorene FETs are generally in agreement with the available experiments.

Graphical Abstract

Publisher

Tsinghua University Press

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