Piezoelectricity in ZnO nanowires: A first-principles study

By Hongjun Xiang, Jinlong Yang, J. Hou, Qing-shi Zhu. 2005

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Hexagonal [0001] nonpassivated ZnO nanowires with diameters up to 2.8nm 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 2.8nm, 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.

Subfields: Biomedical Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/825a86eff6dd6bd750ef4dc988a59a60d72d72e6