Anisotropic ripple deformation in phosphorene

Kou, Liangzhi, Ma, Yandong, Smith, Sean C., & Chen, Changfeng (2015) Anisotropic ripple deformation in phosphorene. Journal of Physical Chemistry Letters, 6(9), pp. 1509-1513.

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Two-dimensional materials tend to become crumpled according to the Mermin-Wagner theorem, and the resulting ripple deformation may significantly influence electronic properties as observed in graphene and MoS2. Here, we unveil by first-principles calculations a new, highly anisotropic ripple pattern in phosphorene, a monolayer black phosphorus, where compression-induced ripple deformation occurs only along the zigzag direction in the strain range up to 10%, but not the armchair direction. This direction-selective ripple deformation mode in phosphorene stems from its puckered structure with coupled hinge-like bonding configurations and the resulting anisotropic Poisson ratio. We also construct an analytical model using classical elasticity theory for ripple deformation in phosphorene under arbitrary strain. The present results offer new insights into the mechanisms governing the structural and electronic properties of phosphorene crucial to its device applications.

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17 citations in Web of Science®

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ID Code: 98205
Item Type: Journal Article
Refereed: Yes
Keywords: Anisotropic Ripple Deformation, First-Principles Calculations, Phosphorene
DOI: 10.1021/acs.jpclett.5b00522
ISSN: 1948-7185
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2015 American Chemical Society
Deposited On: 25 Aug 2016 02:44
Last Modified: 05 Sep 2016 23:17

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