Prediction of γ‐B28 ELNES with comparison to α‐B12 |
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Authors: | Paul Rulis Liaoyuan Wang W. Y. Ching |
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Affiliation: | Department of Physics, University of Missouri – Kansas City, 5110 Rockhill Road, Kansas City, MO 64110, USA |
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Abstract: | Using ab initio techniques we have calculated the electron energy loss near edge structure (ELNES) of a new high pressure phase of boron (γ‐B28) and the structurally similar allotrope, α‐B12. The total ELNES spectra are presented as weighted sums of the site specific spectra of the constituent non‐equivalent B atoms. The five different non‐equivalent B sites in γ‐B28 all show rich ELNES spectra and their similarities and differences to the simpler α‐B12 case are detailed. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim) |
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Keywords: | 61.50.Ah 61.50.Ks 61.66.Bi 79.20.Uv |
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