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Phys. Rev. Lett. 97, 105502 (2006) [4 pages]

Novel Phase Transformation in ZnO Nanowires under Tensile Loading

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Ambarish J. Kulkarni1, Min Zhou1,*, Kanoknan Sarasamak2, and Sukit Limpijumnong2
1The George W. Woodruff School of Mechanical Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0405, USA
2School of Physics, Suranaree University of Technology and National Synchrotron Research Center, Nakhon Ratchasima, Thailand

Received 18 April 2006; revised 18 June 2006; published 7 September 2006

We predict a previously unknown phase transformation from wurtzite to a graphitelike (P63/mmc) hexagonal structure in [011̅ 0]-oriented ZnO nanowires under uniaxial tensile loading. Molecular dynamics simulations and first principles calculations show that this structure corresponds to a distinct minimum on the enthalpy surfaces of ZnO for such loading conditions. This transformation is reversible with a low level of hysteretic dissipation of 0.16  J/m3 and, along with elastic stretching, endows the nanowires with the ability to recover pseudoelastic strains up to 15%.

© 2006 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevLett.97.105502
DOI:
10.1103/PhysRevLett.97.105502
PACS:
61.50.Ks, 61.46.−w, 62.25.+g, 64.70.Nd

*To whom correspondence should be addressed.

Telephone: 404-894-3294.

Fax: 404-894-0186.

Email address: min.zhou@gatech.edu

 
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