Size Effect of Piezoelectricity in ZnO Nanowires: A First-Principles Study

Piezoelectric properties of ZnO nanowires orientated along [0001] are investigated via density functional theory (DFT). A new method to calculate the volume of nanowires was proposed, which is crucial to the value of piezoelectric coefficients. Results show that the axial effective piezoelectric coe...

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Bibliographic Details
Published in:Key engineering materials 2015-05, Vol.645-646, p.275-280
Main Authors: Li, Chen, Zhang, Yue, Qin, Chuan Qion, Gu, You Song, Sun, Xu
Format: Article
Language:English
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Summary:Piezoelectric properties of ZnO nanowires orientated along [0001] are investigated via density functional theory (DFT). A new method to calculate the volume of nanowires was proposed, which is crucial to the value of piezoelectric coefficients. Results show that the axial effective piezoelectric coefficients are 29.99 Cm-2, 25.93 Cm-2, 22.82 Cm-2 for ZnO nanowires with diameters of about 0.6 nm, 1.2 nm, 1.8 nm, which are considerably larger than that of the bulk (20.19Cm-2). It is found that the change in volume during the strain played a dominated role in size effects. This work helps to gain a deeper understanding of the piezoelectric size effects in ZnO nanowires.
ISSN:1013-9826
1662-9795
1662-9795
DOI:10.4028/www.scientific.net/KEM.645-646.275