| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Surface-Induced Enhancement of Piezoelectricity in ZnO Nanowires |
| Gong Chen1**, Pan-Shuo Wang2 |
1Department of Physics, University of Science and Technology of China, Hefei 230026
2Key Laboratory of Computational Physical Sciences (Ministry of Education), State Key Laboratory of Surface Physics, and Department of Physics, Fudan University, Shanghai 200433
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| Cite this article: |
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Gong Chen, Pan-Shuo Wang 2018 Chin. Phys. Lett. 35 127701 |
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Abstract Piezoelectric nanowires are promising building blocks in various micro-electromechanical systems. Using first-principles calculations, we systematically investigate the influence of surface and volume changes on piezoelectric coefficients in [001]-oriented ZnO nanowires and hollow nanowires. We find that the increased non-axial ion displacements under strain near the {100} surface cause a notable enhancement in piezoelectric coefficients for these nanowires. Furthermore, by introducing the obtained surface modifications, we break through the limitation of simulation size and obtain the piezoelectric coefficients at the experimental size. Our findings are of importance to expand simulations and guide experimental explorations.
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Received: 27 July 2018
Published: 23 November 2018
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| PACS: |
77.65.Bn
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(Piezoelectric and electrostrictive constants)
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61.46.Km
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(Structure of nanowires and nanorods (long, free or loosely attached, quantum wires and quantum rods, but not gate-isolated embedded quantum wires))
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61.46.Np
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(Structure of nanotubes (hollow nanowires))
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