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Factors influencing the distribution of charge in polar nanocrystals
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Avraam, Philip W., Hine, Nicholas, Tangney, Paul and Haynes, Peter D. (2011) Factors influencing the distribution of charge in polar nanocrystals. Physical Review B (Condensed Matter and Materials Physics), 83 (24). pp. 1-5. 241402(R) . doi:10.1103/PhysRevB.83.241402 ISSN 1098-0121.
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Official URL: http://dx.doi.org/10.1103/PhysRevB.83.241402
Abstract
We perform first-principles calculations of wurtzite GaAs nanorods to explore the factors determining charge distributions in polar nanostructures. We show that both the direction and magnitude of the dipole moment d of a nanorod, and its electric field, depend sensitively on how its surfaces are terminated and do not depend strongly on the spontaneous polarization of the underlying lattice. We identify two physical mechanisms by which d is controlled by the surface termination, and we show that the excess charge on the nanorod ends is not strongly localized. We discuss the implications of these results for tuning nanocrystal properties, and for their growth and assembly.
| Item Type: | Journal Article | ||||
|---|---|---|---|---|---|
| Subjects: | Q Science > QD Chemistry | ||||
| Divisions: | Faculty of Science, Engineering and Medicine > Science > Physics | ||||
| Library of Congress Subject Headings (LCSH): | Nanocrystals -- Electric properties | ||||
| Journal or Publication Title: | Physical Review B (Condensed Matter and Materials Physics) | ||||
| Publisher: | American Physical Society | ||||
| ISSN: | 1098-0121 | ||||
| Official Date: | June 2011 | ||||
| Dates: |
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| Volume: | 83 | ||||
| Number: | 24 | ||||
| Number of Pages: | 5 | ||||
| Page Range: | pp. 1-5 | ||||
| Article Number: | 241402(R) | ||||
| DOI: | 10.1103/PhysRevB.83.241402 | ||||
| Status: | Peer Reviewed | ||||
| Publication Status: | Published | ||||
| Access rights to Published version: | Restricted or Subscription Access | ||||
| Date of first compliant deposit: | 1 April 2016 | ||||
| Date of first compliant Open Access: | 1 April 2016 | ||||
| Funder: | Engineering and Physical Sciences Research Council (EPSRC), European Commission (EC), Royal Society (Great Britain) | ||||
| Grant number: | EP/G05567X/1 (EPSRC), MIRG-CT-2007-208858 (EC) |
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