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Issue 24, 2017
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Two-dimensional tetragonal AlP monolayer: strain-tunable direct–indirect band-gap and semiconductor–metal transitions

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Abstract

Recently, pristine group 13–15 monolayers have been attracting increasing interest. However, most of them have wide band-gaps, which have greatly limited their application in optoelectronic devices with photo response in the visible region. Based on first-principles calculations, we report a two-dimensional tetragonal (t-) AlP monolayer with a direct band-gap (1.56 eV). Furthermore, the intrinsic electron mobility of the t-AlP sheet can reach ∼103 cm2 V−1 s−1, higher than that of black phosphorus. Interestingly, the band-gap feature of t-AlP can be modulated by the strain and layer stacking order. Specifically, t-AlP exhibits direct-indirect gap and semiconductor–metal transitions at rather small biaxial strains. If synthesized, the t-AlP monolayer may have applications in designing tunable optoelectronic devices.

Graphical abstract: Two-dimensional tetragonal AlP monolayer: strain-tunable direct–indirect band-gap and semiconductor–metal transitions

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Publication details

The article was received on 23 Feb 2017, accepted on 19 May 2017 and first published on 19 May 2017


Article type: Paper
DOI: 10.1039/C7TC00822H
Citation: J. Mater. Chem. C, 2017,5, 5999-6004
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    Two-dimensional tetragonal AlP monolayer: strain-tunable direct–indirect band-gap and semiconductor–metal transitions

    C. Liu, Z. Teng, X. Ye and X. Yan, J. Mater. Chem. C, 2017, 5, 5999
    DOI: 10.1039/C7TC00822H

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