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Two-Dimensional Tetragonal AlP Monolayer: Strain-Tunable Direct-Indirect Band Gap and Semiconductor-Metal Transitions

Abstract

Recently, group III-V monolayers, which are isoelectronic to group-IV materials, have attracted increasing interests. However, most of them have band gaps larger than 2 eV, which has greatly limited the application in optoelectronic devices with photoresponse 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 cm2Vāˆ’1sāˆ’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.

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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, Accepted Manuscript
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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, Accepted Manuscript , DOI: 10.1039/C7TC00822H

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