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Issue 21, 2020
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Semiconducting two-dimensional group VA–VA haeckelite compounds with superior carrier mobility

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Abstract

A series of two-dimensional (2D) single-layer binary group VA–VA crystals, where VA represents P, As, Sb and Bi, are explored by the first-principles calculations. Unlike the orthorhombic α-phase and hexagonal β-phase, these crystals have a tetragonal haeckelite lattice and are named as T-VA-VAs. These ultrathin 2D materials have high thermal stability and are semiconductors with moderate band gaps ranging from 0.80 to 2.68 eV (HSE06). The band gaps show a prevalent linear correlation with average ionization energies (AIEs) of different composites, and thus can be effectively designed. Furthermore, these materials exhibit superior carrier mobility, e.g. 2.96 × 103 cm−2 V−1 s−1 of T-SbBi, and considerable visible light absorption index. These novel 2D binary materials are expected to be fabricated and used as nanoelectronics and for solar energy harvesting.

Graphical abstract: Semiconducting two-dimensional group VA–VA haeckelite compounds with superior carrier mobility

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Supplementary files

Article information


Submitted
08 Mar 2020
Accepted
04 May 2020
First published
04 May 2020

Phys. Chem. Chem. Phys., 2020,22, 12260-12266
Article type
Paper

Semiconducting two-dimensional group VA–VA haeckelite compounds with superior carrier mobility

X. Lin, F. Meng, Q. Liu, Q. Xue and H. Zhang, Phys. Chem. Chem. Phys., 2020, 22, 12260
DOI: 10.1039/D0CP01306D

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