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High-Resolution Spectroscopy of Bonding in a Novel BeP2N4 Compound

Published online by Cambridge University Press:  03 April 2014

Teresa Dennenwaldt ,
Jim Ciston ,
Ulrich Dahmen ,
Wai-Yim Ching ,
Florian J. Pucher ,
Wolfgang Schnick  and
Christina Scheu
Teresa Dennenwaldt
Affiliation:
Department of Chemistry and Center for NanoScience, Ludwig-Maximilians-Universität München, Butenandtstr. 5-13, 81377 Munich, Germany
Jim Ciston
Affiliation:
Lawrence Berkeley National Laboratory, National Center for Electron Microscopy, Berkeley, CA 94720, USA
Ulrich Dahmen
Affiliation:
Lawrence Berkeley National Laboratory, National Center for Electron Microscopy, Berkeley, CA 94720, USA
Wai-Yim Ching
Affiliation:
Department of Physics and Astronomy, University of Missouri–Kansas City, Kansas City, MO 64110, USA
Florian J. Pucher
Affiliation:
Department of Chemistry and Center for NanoScience, Ludwig-Maximilians-Universität München, Butenandtstr. 5-13, 81377 Munich, Germany
Wolfgang Schnick
Affiliation:
Department of Chemistry and Center for NanoScience, Ludwig-Maximilians-Universität München, Butenandtstr. 5-13, 81377 Munich, Germany
Christina Scheu*
Affiliation:
Department of Chemistry and Center for NanoScience, Ludwig-Maximilians-Universität München, Butenandtstr. 5-13, 81377 Munich, Germany
*
*Corresponding author.Christina.Scheu@cup.uni-muenchen.de
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Abstract

The recently discovered compound BeP2N4 that crystallizes in the phenakite-type structure has potential application as a high strength optoelectronic material. Therefore, it is important to analyze experimentally the electronic structure, which was done in the present work by monochromated electron energy-loss spectroscopy. The detection of Be is challenging due to its low atomic number and easy removal under electron bombardment. We were able to determine the bonding behavior and coordination of the individual atomic species including Be. This is evident from a good agreement between experimental electron energy-loss near-edge structures of the Be-K-, P-L2,3-, and N-K-edges and density functional theory calculations.

Keywords

EELSTEMDFTinorganic compounds/condensed matter
Type
EDGE Special Issue
Information
Microscopy and Microanalysis , Volume 20 , Issue 3 , June 2014 , pp. 664 - 670
Copyright
© Microscopy Society of America 2014 

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