Stacking Fault Enriching the Electronic and Transport Properties of Few-Layer Phosphorenes and Black Phosphorus

Nano Letters
Shuangying LeiShengbai Zhang

Abstract

Interface engineering is critical for enriching the electronic and transport properties of two-dimensional materials. Here, we identify a new stacking, named Aδ, in few-layer phosphorenes (FLPs) and black phosphorus (BP) based on first-principles calculation. With its low formation energy, the Aδ stacking could exist in FLPs and BP as a stacking fault. The presence of the Aδ stacking fault induces a direct to indirect transition of the band gap in FLPs. It also affects the carrier mobilities by significantly increasing the carrier effective masses. More importantly, the Aδ stacking enables the fabrication of a whole spectrum of lateral junctions with all the type-I, II, and III alignments simply through the manipulation of the van der Waals stacking without resorting to any chemical modification. This is achieved by the widely tunable electron affinity and ionization potential of FLPs and BP with the Aδ stacking.

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Citations

Nov 2, 2016·The Journal of Physical Chemistry Letters·Qiang LiJinlan Wang
Mar 30, 2018·Physical Chemistry Chemical Physics : PCCP·Ying WeiYuanchun Zhao
Apr 19, 2018·Nanoscale·Junfeng ZhangShengbai Zhang
May 12, 2021·Nature Materials·Zehan WuJianhua Hao
Aug 8, 2018·The Journal of Physical Chemistry Letters·Xianghong NiuJinlan Wang
Apr 9, 2018·ACS Omega·Shuang Ying LeiHong Yu
May 31, 2019·The Journal of Physical Chemistry Letters·Douxing PanYugui Yao

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