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2D Violet phosphorene with highly anisotropic mobility and its vdW heterojunction design for device applications

Recently, the crystal structure of violet phosphorus and its monolayer violet phosphorene (VP) have been reconfirmed experimentally, and they were verified to be more thermally stable than their allotrope, black phosphorus. Here, we calculated the carrier mobility of monolayer VP using density funct...

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Published in:Physical chemistry chemical physics : PCCP 2022-02, Vol.24 (5), p.3379-3385
Main Authors: Xu, Yuehua, Long, Qianqian, Li, Dongze, Li, Pengfei
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creator Xu, Yuehua
Long, Qianqian
Li, Dongze
Li, Pengfei
description Recently, the crystal structure of violet phosphorus and its monolayer violet phosphorene (VP) have been reconfirmed experimentally, and they were verified to be more thermally stable than their allotrope, black phosphorus. Here, we calculated the carrier mobility of monolayer VP using density functional theory. It is found that the carrier mobility is highly anisotropic and the hole mobility reaches 9.86 × 10 3 cm 2 V −1 s −1 in the a -direction, endowing the potential application of VP in p-type semiconductor channel materials. Moreover, the Schottky barrier of the graphene/VP heterojunction turns into an ohmic contact when the electric field strength is >2 V nm −1 . Therefore, VP and graphene/VP heterojunctions have potential prospects in electronic devices. A 2D violet phosphorene monolayer with high anisotropic carrier mobility and a graphene/violet phosphorene vdW heterojunction with tailoring of the Schottky/ohmic contact.
doi_str_mv 10.1039/d1cp04810d
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source Royal Society of Chemistry Journals
subjects Allotropy
Carrier mobility
Contact resistance
Crystal structure
Density functional theory
Electric contacts
Electric field strength
Electronic devices
Graphene
Heterojunctions
Hole mobility
Monolayers
P-type semiconductors
Phosphorene
Phosphorus
Thermal stability
Two dimensional materials
title 2D Violet phosphorene with highly anisotropic mobility and its vdW heterojunction design for device applications
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