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Piezoelectricity in ZnO nanowires: A first-principles study

Appl. Phys. Lett. 89, 223111 (2006); doi:10.1063/1.2397013

Published 28 November 2006

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H. J. Xiang, Jinlong Yang, J. G. Hou, and Qingshi Zhu
Hefei National Laboratory for Physical Sciences at Microscale, University of Science and Technology of China, Hefei, Anhui 230026, People's Republic of China
Hexagonal [0001] nonpassivated ZnO nanowires with diameters up to 2.8  nm are studied with density functional calculations. The authors find that ZnO nanowires have larger effective piezoelectric constant than bulk ZnO due to their free boundary. For ZnO nanowires with diameters larger than 2.8  nm, the effective piezoelectric constant is almost a constant. Surprisingly, the effective piezoelectric constant in small ZnO nanowires does not depend monotonically on the radius due to two competitive effects. Moreover, the quantum confinement effect results in larger band gaps of bare ZnO nanowires compared to that of bulk ZnO. ©2006 American Institute of Physics
History: Received 8 September 2006; accepted 12 October 2006; published 28 November 2006
Permalink: http://link.aip.org/link/?APPLAB/89/223111/1
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KEYWORDS and PACS

Keywords
PACS
  • 73.63.Nm
    Quantum wires (electronic transport)
  • 61.46.-w
    Nanoscale materials
  • 77.65.Bn
    Piezoelectric and electrostrictive constants
  • 77.84.Bw
    Dielectric, piezoelectric, and ferroelectric elements, oxides, nitrides, borides, carbides, chalcogenides, etc.
  • YEAR: 2006

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ISSN:
0003-6951 (print)   1077-3118 (online)
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