Piezoelectricity in ZnO nanowires: A first-principles study

被引：171
|
作者：
Xiang, H. J. [1 ]
Yang, Jinlong [1 ]
Hou, J. G. [1 ]
Zhu, Qingshi [1 ]
机构：
[1] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China
来源：
APPLIED PHYSICS LETTERS | 2006年 / 89卷 / 22期
基金：
中国国家自然科学基金;
关键词：
D O I：
10.1063/1.2397013
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
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.
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页数：3
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