期刊
ACS APPLIED MATERIALS & INTERFACES
卷 9, 期 14, 页码 12694-12705出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsami.6b16826
关键词
bilayer phosphorene transistor; interface; Schottky barrier; energy band; quantum transport simulation
资金
- National Natural Science Foundation of China [11674005/11274016/11474012/11274233]
- National Basic Research Program of China [2013CB932604/2012CB619304]
- National Science Foundation Grant [1207141]
- National Foundation for Fostering Talents of Basic Science [J1030310/J1103205]
- National Materials Genome Project [2016YFB0700600]
- Open Fund of Key Laboratory for Intelligent Nano Materials and Devices of the Ministry of Education of China [INMD-2016M03]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [1207141] Funding Source: National Science Foundation
It is unreliable to evaluate the Schottky barrier height (SBH) in monolayer (ML) 2D material field effect transistors (FETs) with strongly interacted electrode from the work function approximation (WFA) because of existence of the Fermi-level pinning. Here, we report the first systematical study of bilayer (BL) phosphorene FETs in contact with a series of metals with a wide work function range (Al, Ag, Cu, Au, Cr, Ti, Ni, and Pd) by using both ab initio electronic band calculations and quantum transport simulation (QTS). Different from only one type of Schottky barrier (SB) identified in the ML phosphorene FETs, two types of SBs are identified in BL phosphorene FETs: the vertical SB between the metallized and the intact phosphorene layer, whose height is determined from the energy band analysis (EBA); the lateral SB between the metallized and the channel BL phosphorene, whose height is determined from the QTS. The vertical SBHs show a better consistency with the lateral SBHs of the ML phosphorene FETs from the QTS compared than that of the popular WFA. Therefore, we develop a better and more general method than the WFA to estimate the lateral SBHs of ML semiconductor transistors with strongly interacted electrodes based on the EBA for its BL counterpart. In terms of the QTS, n-type lateral Schottky contacts are formed between BL phosphorene and Cr, Al, and Cu electrodes with electron SBH of 0.27, 0.31, and 0.32 eV, respectively, while p-type lateral Schottky contacts are formed between BL phosphorene and Pd, Ti, Ni, Ag, and Au electrodes with hole SBH of 0.11, 0.18, 0.19, 0.20, and 0.21 eV, respectively. The theoretical polarity and SBHs are in good agreement with available experiments. Our study provides an insight into the BL phosphorene-metal interfaces that are crucial for designing the BL phosphorene device.
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