Novel phase transformation in ZnO nanowires under tensile loading

被引：170

作者：

Kulkarni, Ambarish J.

Zhou, Min ^{[1
]}

Sarasamak, Kanoknan

Limpijumnong, Sukit

机构：

[1] Georgia Inst Technol, George W Woodruff Sch Mech Engn, Atlanta, GA 30332 USA

[2] Suranaree Univ Technol, Sch Phys, Nakhon Ratchasima, Thailand

[3] Natl Synchrotron Res Ctr, Nakhon Ratchasima, Thailand

来源：

PHYSICAL REVIEW LETTERS | 2006年 / 97卷 / 10期

关键词：

D O I：

10.1103/PhysRevLett.97.105502

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We predict a previously unknown phase transformation from wurtzite to a graphitelike (P6(3)/mmc) hexagonal structure in [0110]-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/m(3) and, along with elastic stretching, endows the nanowires with the ability to recover pseudoelastic strains up to 15%.

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页数：4

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