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Title: Anisotropic ripple deformation in phosphorene

Abstract

Here, 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.

Authors:
 [1];  [2];  [1];  [3]
  1. Univ. of New South Wales, Sydney, NSW (Australia)
  2. Jacobs Univ. Bremen, Bremen (Germany)
  3. Univ. of Nevada, Las Vegas, NV (United States)
Publication Date:
Research Org.:
Univ. of Nevada, Las Vegas, NV (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1332442
Grant/Contract Number:  
NA0001982
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 6; Journal Issue: 9; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; anisotropic ripple deformation; first-principles calculations; phosphorene

Citation Formats

Kou, Liangzhi, Ma, Yandong, Smith, Sean C., and Chen, Changfeng. Anisotropic ripple deformation in phosphorene. United States: N. p., 2015. Web. doi:10.1021/acs.jpclett.5b00522.
Kou, Liangzhi, Ma, Yandong, Smith, Sean C., & Chen, Changfeng. Anisotropic ripple deformation in phosphorene. United States. https://doi.org/10.1021/acs.jpclett.5b00522
Kou, Liangzhi, Ma, Yandong, Smith, Sean C., and Chen, Changfeng. 2015. "Anisotropic ripple deformation in phosphorene". United States. https://doi.org/10.1021/acs.jpclett.5b00522. https://www.osti.gov/servlets/purl/1332442.
@article{osti_1332442,
title = {Anisotropic ripple deformation in phosphorene},
author = {Kou, Liangzhi and Ma, Yandong and Smith, Sean C. and Chen, Changfeng},
abstractNote = {Here, 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.},
doi = {10.1021/acs.jpclett.5b00522},
url = {https://www.osti.gov/biblio/1332442}, journal = {Journal of Physical Chemistry Letters},
issn = {1948-7185},
number = 9,
volume = 6,
place = {United States},
year = {Tue Apr 07 00:00:00 EDT 2015},
month = {Tue Apr 07 00:00:00 EDT 2015}
}

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Works referencing / citing this record:

Acute mechano-electronic responses in twisted phosphorene nanoribbons
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Recent Advances in the Study of Phosphorene and its Nanostructures
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Anisotropic buckling of few-layer black phosphorus
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The fracture behaviors of monolayer phosphorene with grain boundaries under tension: a molecular dynamics study
journal, January 2016


Promise and Challenge of Phosphorus in Science, Technology, and Application
journal, September 2018


Efficient selection methods for black phosphorene nanoribbons
journal, January 2018


Kagome-like group-VA monolayers with indirect–direct band gap transition and anisotropic mobility
journal, January 2020


Advanced Phosphorus-Based Materials for Lithium/Sodium-Ion Batteries: Recent Developments and Future Perspectives
journal, January 2018


Biaxial strain tuned thermoelectric properties in monolayer PtSe 2
journal, January 2016


Raman Activity of Multilayer Phosphorene under Strain
journal, December 2019