Single particle wavefunction localizations in bulged CdSenanowires

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Using atomistic empirical pseudopotentials, we havecalculated the electronic structures of CdSe nanowires with a bulgedarea. The localized state wavefunctions and their binding energies arecalculated, and their dependences on the bulged area shape are analyzed.We find that both the binding energy and the wavefunction localizationstrongly depend on the bulged area shape, with the most compact shapeproduces the largest binding energy and strongest wavefunctionlocalization. We also find that the top of the valence band state has aweaker localization than the bottom of the conduction band state due toan effective mass anisotropy.

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Zhao, Zhengji; Wang, Lin-Wang & Wu, Fengmin July 2, 2006.

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Description

Using atomistic empirical pseudopotentials, we havecalculated the electronic structures of CdSe nanowires with a bulgedarea. The localized state wavefunctions and their binding energies arecalculated, and their dependences on the bulged area shape are analyzed.We find that both the binding energy and the wavefunction localizationstrongly depend on the bulged area shape, with the most compact shapeproduces the largest binding energy and strongest wavefunctionlocalization. We also find that the top of the valence band state has aweaker localization than the bottom of the conduction band state due toan effective mass anisotropy.

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  • Journal Name: Journal of Computational and TheoreticalNanoscience; Journal Volume: 4; Journal Issue: 2; Related Information: Journal Publication Date: 04/2007

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  • Report No.: LBNL--60841
  • Grant Number: DE-AC02-05CH11231
  • Office of Scientific & Technical Information Report Number: 920345
  • Archival Resource Key: ark:/67531/metadc894727

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  • July 2, 2006

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  • Sept. 27, 2016, 1:39 a.m.

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  • Sept. 30, 2016, 12:44 p.m.

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Zhao, Zhengji; Wang, Lin-Wang & Wu, Fengmin. Single particle wavefunction localizations in bulged CdSenanowires, article, July 2, 2006; Berkeley, California. (digital.library.unt.edu/ark:/67531/metadc894727/: accessed August 19, 2017), University of North Texas Libraries, Digital Library, digital.library.unt.edu; crediting UNT Libraries Government Documents Department.