Optical band gap of NpO2 and PuO2 from optical absorbance of epitaxial films

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dc.citation.articleNumber13515
dc.citation.issueNumber1
dc.citation.journalTitleJournal of Applied Physics
dc.citation.volumeNumber113
dc.contributor.authorMcCleskey, T. Mark
dc.contributor.authorBauer, Eve
dc.contributor.authorJia, Quanxi
dc.contributor.authorBurrell, Anthony K.
dc.contributor.authorScott, Brian L.
dc.contributor.authorConradson, Steven D.
dc.contributor.authorMueller, Alex
dc.contributor.authorRoy, Lindsay
dc.contributor.authorWen, Xiaodong
dc.contributor.authorScuseria, Gustavo E.
dc.contributor.authorMartin, Richard L.
dc.date.accessioned2017-07-25T18:04:13Z
dc.date.available2017-07-25T18:04:13Z
dc.date.issued2013
dc.description.abstractWe report a solution based synthesis of epitaxial thin films of neptunium oxide and plutonium oxide. Actinides represent a challenge to first principle calculations due to features that arise from f orbital interactions. Conventional semi-local density functional theory predicts NpO2 and PuO2 to be metallic, when they are well known insulators. Improvements in theory are dependent on comparison with accurate measurements of material properties, which in turn demand high-quality samples. The high melting point of actinide oxides and their inherent radioactivity makes single crystal and epitaxial film formation challenging. We report on the preparation of high quality epitaxial actinide films. The films have been characterized through a combination of X-ray diffraction and X-ray absorption fine structure (XANES and EXAFS) measurements. We report band gaps of 2.80 ± 0.1 eV and 2.85 ± 0.1 eV at room temperature for PuO2 and NpO2, respectively, and compare our measurements with state-of-the-art calculations.
dc.identifier.citationMcCleskey, T. Mark, Bauer, Eve, Jia, Quanxi, et al.. "Optical band gap of NpO2 and PuO2 from optical absorbance of epitaxial films." <i>Journal of Applied Physics,</i> 113, no. 1 (2013) American Institute of Physics: http://dx.doi.org/10.1063/1.4772595.
dc.identifier.digitalOptical_band_gap
dc.identifier.doihttp://dx.doi.org/10.1063/1.4772595
dc.identifier.urihttps://hdl.handle.net/1911/95221
dc.language.isoeng
dc.publisherAmerican Institute of Physics
dc.rightsArticle is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use.
dc.titleOptical band gap of NpO2 and PuO2 from optical absorbance of epitaxial films
dc.typeJournal article
dc.type.dcmiText
dc.type.publicationpublisher version
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