Two-dimensional phosphorene/C3N p-n heterostructure: Effect of contact type on electronic and optical properties

p-n heterostructure (HTS) is a fundamental component for high-performance electronic and optoelectronic device. Vertical stacking through van der Waals (vdW) force is emerging as a feasible technique to construct p-n HTS. Herein, we designed a novel kind of direct-bandgap C 3 N monolayer, via adjust...

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Bibliographic Details
Published in:Science China. Technological sciences 2019-03, Vol.62 (3), p.478-489
Main Authors: He, YuanYuan, Chen, Chao, Cheng, Na, Xiong, ShiYun, Zhao, JianWei
Format: Article
Language:English
Subjects:
Charge transfer
Density functional theory
Electronic devices
Energy gap
Engineering
Field effect transistors
Heterostructures
Hexagonal cells
Interlayers
Monolayers
Optical properties
Optoelectronic devices
Phosphorene
Semiconductor devices
Threshold voltage
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Summary:p-n heterostructure (HTS) is a fundamental component for high-performance electronic and optoelectronic device. Vertical stacking through van der Waals (vdW) force is emerging as a feasible technique to construct p-n HTS. Herein, we designed a novel kind of direct-bandgap C 3 N monolayer, via adjusting the arrangement of C and N atoms in C 3 N hexagonal cell. On the basis of the density functional theory combined with the non-equilibrium Green’s function method, we built two-dimensional vdW-contact phosphorene (BP)/C 3 N p-n HTS, and analyzed its electronic and optical properties in comparison with the inplane-jointed ones. The strong charge transfer between BP and C 3 N segments results in a wide bandgap of 0.48 eV for joint-contact type BP/C 3 N HTS, whereas the effective interlayer coupling in vdW-contact type leads to an improved light adsorption as compared to the isolated C 3 N monolayer. By fabricating dual-gated BP/C 3 N HTS field-effect transistors (FETs), the dynamic transport behaviors demonstrated that the band bending under a lower threshold voltage makes band-to-band tunneling possible for vdW-contact type. Our work suggests that vdW-contact type is superior to joint-contact type in constructing p-n HTS for high-performance electronic and optoelectronic devices.
ISSN:1674-7321
1869-1900
DOI:10.1007/s11431-018-9355-0