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metadata.dc.type: | Artigo de Periódico |
Title: | X-ray absorption and emission spectroscopy of ZnO nanoparticle and highly oriented ZnO microrod arrays |
Other Titles: | Microelectronics Journal |
Authors: | Silva, A. Ferreira da Persson, C. Dong, C. L. Vayssieres, L. Augustsson, A. Schmitt, T. Mattesini, M. Ahuja, Rajeev Nordgren, J. Chang, C. L. Guo, J. H. |
metadata.dc.creator: | Silva, A. Ferreira da Persson, C. Dong, C. L. Vayssieres, L. Augustsson, A. Schmitt, T. Mattesini, M. Ahuja, Rajeev Nordgren, J. Chang, C. L. Guo, J. H. |
Abstract: | The electronic structures of ZnO nanoparticles and microrod arrays are studied by O 1s X-ray absorption spectroscopy (XAS) and O Kα X-ray emission spectroscopy (XES). We show that the present LDA+USIC calculation approach is suitable to correct the LDA self-interaction error of the cation d-states. The atomic eigenstates of 3d in zinc and 2p in oxygen are energetically close, which induces strong Zn-3d-O-2p hybridization. This anomalous valence band cation-d-anion-p hybridization is affected when the localization of the Zn 3d-states is taken into account. Experimentally, the XES spectra show energy dependence in the spectral shape revealing selected excitations to the Zn 3d, 4s and 4p states, hybridized with O 2p states. Strong anisotropic effects are observed for the highly oriented ZnO rods, but not for the isotropic spherical nanoparticles. The nanostructured ZnO has primarily bulk XAS and XES properties. |
Keywords: | ZnO Nanostructure X-ray Absorption Emission d-State localization |
URI: | http://www.repositorio.ufba.br/ri/handle/ri/12588 |
Issue Date: | 2006 |
Appears in Collections: | Artigo Publicado em Periódico (FIS) |
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