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New allotropes of phosphorene with remarkable stability and intrinsic piezoelectricity
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Zhenqing, Li, He, Chaoyu, Ouyang, Tao, Zhang, Chunxiao, Tang, Chao, Römer, Rudolf A. and Zhong, Jianxin (2018) New allotropes of phosphorene with remarkable stability and intrinsic piezoelectricity. Physical Review Applied, 9 . 044032. doi:10.1103/PhysRevApplied.9.044032
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Official URL: https://doi.org/10.1103/PhysRevApplied.9.044032
Abstract
We construct a class of two-dimensional (2D) phosphorus allotropes by assembling a previously proposed ultrathin metastable phosphorus nanotube into planar structures in different stacking orientations. Based on first-principles methods, the structures, stabilities, and fundamental electronic properties of these allotropes are systematically investigated. Our results show that these 2D van der Waals phosphorene allotropes possess remarkable stabilities due to the strong intertube van der Waals interactions, which cause an energy release of about 30–70 meV/atom, depending on their stacking details. Most of them are confirmed to be energetically more favorable than the experimentally viable α−P and β−P. Three of them, showing a relatively higher probability of being synthesized in the future, are further confirmed to be dynamically stable semiconductors with strain-tunable band gaps and intrinsic piezoelectricity, which may have potential applications in nanosized sensors, piezotronics, and energy harvesting in portable electronic nanodevices.
Item Type: | Journal Article | |||||||||||||||||||||||||||||||||
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Subjects: | Q Science > QD Chemistry | |||||||||||||||||||||||||||||||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | |||||||||||||||||||||||||||||||||
Library of Congress Subject Headings (LCSH): | Allotropy, Piezoelectricity | |||||||||||||||||||||||||||||||||
Journal or Publication Title: | Physical Review Applied | |||||||||||||||||||||||||||||||||
Publisher: | American Physical Society | |||||||||||||||||||||||||||||||||
Official Date: | 23 April 2018 | |||||||||||||||||||||||||||||||||
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Volume: | 9 | |||||||||||||||||||||||||||||||||
Article Number: | 044032 | |||||||||||||||||||||||||||||||||
DOI: | 10.1103/PhysRevApplied.9.044032 | |||||||||||||||||||||||||||||||||
Status: | Peer Reviewed | |||||||||||||||||||||||||||||||||
Publication Status: | Published | |||||||||||||||||||||||||||||||||
Access rights to Published version: | Restricted or Subscription Access | |||||||||||||||||||||||||||||||||
Date of first compliant deposit: | 3 May 2018 | |||||||||||||||||||||||||||||||||
Date of first compliant Open Access: | 3 May 2018 | |||||||||||||||||||||||||||||||||
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