Work

Piezoelectricity in ZnO nanowires: A first-principles study

Year: 2006

Type: article

Abstract: 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.

Source: Applied Physics Letters

DOI: 10.1063/1.2397013

Authors: H. J. Xiang, Jinlong Yang, J. G. Hou, Qingshi Zhu

Institutions: University of Science and Technology of China, Hefei National Center for Physical Sciences at Nanoscale

Language: English

Topic: ZnO doping and properties

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

Funders: National Natural Science Foundation of China, University of Science and Technology of China

Awards: G217118265, 表面吸附的基础理论研究, 贵金属原子团簇的理论研究