Prediction of γ‐B 28  ELNES with comparison to α‐B 12 | Zendy

Rulis Paul | Zendy; Wang Liaoyuan | Zendy; Ching W. Y. | Zendy

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Prediction of γ‐B 28 ELNES with comparison to α‐B 12

Author(s) -

Rulis Paul,

Wang Liaoyuan,

Ching W. Y.

Publication year - 2009

Publication title -

physica status solidi (rrl) – rapid research letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.786

H-Index - 68

eISSN - 1862-6270

pISSN - 1862-6254

DOI - 10.1002/pssr.200903089

Subject(s) - spectral line , ab initio , boron , crystallography , ab initio quantum chemistry methods , chemistry , atomic physics , physics , molecule , organic chemistry , astronomy

Using ab initio techniques we have calculated the electron energy loss near edge structure (ELNES) of a new high pressure phase of boron (γ‐B 28 ) and the structurally similar allotrope, α‐B 12 . 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‐B 28 all show rich ELNES spectra and their similarities and differences to the simpler α‐B 12 case are detailed. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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