Size-dependent elastic properties of single-walled ZnO nanotubes: A first-principles study

Journal Article · Fri Apr 15 00:00:00 EDT 2011 · Journal of Applied Physics

DOI:https://doi.org/10.1063/1.3573508· OSTI ID:21560186

Yuhua, Wen; Yang, Zhang; Shunqing, Wu; Zizhong, Zhu ^[1]

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1. Department of Physics and Institute of Theoretical Physics and Astrophysics, Xiamen University, Xiamen 361005 (China)

By means of first-principles calculations, we have investigated a size dependence of elastic modulus in single-walled ZnO nanotubes with armchair and zigzag forms. It is found that for these tubes the Young's modulus is increased dramatically with the increased diameters and inversely proportional to the Zn-O bond length. Further, the amount of charge transfer, calculated by the Bader analysis, is introduced to elucidate the strength of bonding between Zn and O atoms in these tubes.

• OSTI ID: 21560186
• Journal Information: Journal of Applied Physics, Vol. 109, Issue 8; Other Information: DOI: 10.1063/1.3573508; (c) 2011 American Institute of Physics; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

77 NANOSCIENCE AND NANOTECHNOLOGY
BOND LENGTHS
BONDING
CHARGE EXCHANGE
COMPUTERIZED SIMULATION
ELASTICITY
NANOTUBES
SEMICONDUCTOR MATERIALS
TUBES
YOUNG MODULUS
ZINC OXIDES
CHALCOGENIDES
DIMENSIONS
FABRICATION
JOINING
LENGTH
MATERIALS
MECHANICAL PROPERTIES
NANOSTRUCTURES
OXIDES
OXYGEN COMPOUNDS
SIMULATION
ZINC COMPOUNDS