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High mobility in α-phosphorene isostructures with low deformation potential

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Abstract

The exceptionally low deformation potential is proposed as the key determinant for the high carrier mobility in α-phosphorene. This is related to its unique corrugated two-dimensional structure. Herein, we present a systematic first-principles density functional theory study on ten α-phosphorene isostructures by calculating the three key parameters of the carrier mobility. An electron mobility in the armchair direction with a value comparable to α-phosphorene is found in α-PAs, α-PCH, and α-AsCH, due to the structure-caused low deformation potential. The highest carrier mobility is predicted in α-graphane because of a two-orders-of-magnitude smaller deformation potential than the other isostructures. The low deformation potential can be correlated to the separation of charge carriers from neighbouring unit cells. This study highlights a feasible route to generating high mobility materials through deformation potential engineering.

Graphical abstract: High mobility in α-phosphorene isostructures with low deformation potential

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Article information


Submitted
28 Oct 2019
Accepted
28 Dec 2019
First published
30 Dec 2019

Phys. Chem. Chem. Phys., 2020, Advance Article
Article type
Paper

High mobility in α-phosphorene isostructures with low deformation potential

R. Fang, X. Cui, C. Stampfl, S. P. Ringer and R. Zheng, Phys. Chem. Chem. Phys., 2020, Advance Article , DOI: 10.1039/C9CP05828A

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