The DOI matches its Crossref record; 11 of the 11 references it cites were found in a registry or an index.
Giant Piezoelectric Size Effects in Zinc Oxide and Gallium Nitride Nanowires. A First Principles Investigation
Abstract
Nanowires made of materials with noncentrosymmetric crystal structure are under investigation for their piezoelectric properties and suitability as building blocks for next-generation self-powered nanodevices. In this work, we investigate the size dependence of piezoelectric coefficients in nanowires of two such materials - zinc oxide and gallium nitride. Nanowires, oriented along their polar axis, ranging from 0.6 to 2.4 nm in diameter were modeled quantum mechanically. A giant piezoelectric size effect is identified for both GaN and ZnO nanowires. However, GaN exhibits a larger and more extended size dependence than ZnO. The observed size effect is discussed in the context of charge redistribution near the free surfaces leading to changes in local polarization. The study reveals that local changes in polarization and reduction of unit cell volume with respect to bulk values lead to the observed size effect. These results have strong implication in the field of energy harvesting, as piezoelectric voltage output scales with the piezoelectric coefficient.
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Cites
The SIESTA method for ab initio order-N materials simulation
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Piezoelectric Nanogenerators Based on Zinc Oxide Nanowire Arrays
Wang, Z. L., & Song, J. (2006) · Science · doi:10.1126/science.1124005 · Cited by 7,922
Xu, S., Qin, Y., Xu, C., Wei, Y., Yang, R., & Wang, Z. L. (2010) · Nature Nanotechnology · doi:10.1038/nnano.2010.46 · Cited by 1,626
Thin Film Piezoelectrics for MEMS
Trolier-McKinstry, S., & Muralt, P. (2004) · Journal of Electroceramics · doi:10.1023/b:jecr.0000033998.72845.51 · Cited by 1,023
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Piezoelectric Thin Films for Sensors, Actuators, and Energy Harvesting
Muralt, P., Polcawich, R. G., & Trolier-McKinstry, S. (2009) · MRS Bulletin · doi:10.1557/mrs2009.177 · Cited by 366
Challenges in Modeling Materials Properties Without Experimental Input
Carter, E. A. (2008) · Science · doi:10.1126/science.1158009 · Cited by 254
Full piezoelectric tensors of wurtzite and zinc blende ZnO and ZnS by first-principles calculations
Catti, M., Noel, Y., & Dovesi, R. (2003) · Journal of Physics and Chemistry of Solids · doi:10.1016/s0022-3697(03)00219-1 · Cited by 234
Experimental-Computational Investigation of ZnO nanowires Strength and Fracture
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Metadata
- Authors
- Agrawal, R., & Espinosa, H. D.
- Venue
- Nano Letters
- Publisher
- American Chemical Society (ACS)
- Published
- 2011-02-09
- Volume
- 11
- Issue
- 2
- Pages
- 786-790
- ISSN
- 1530-6984 (ISSN-L)
- 1530-6992
- OpenAlex
- W2056144397
- Cited by
- 310
- References
- 11
- FWCI
- 15.13
- Type
- journal article
- Language
- en
- Open access
- closed
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