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Size-Dependence Of Infrared Spectra In Niobium Carbide Nanocrystals

Author

Listed:
  • V. ALVIN SHUBERT

    (Max Planck Advanced Study Group, Center for Free Electron Science, 22607 Hamburg, Germany;
    Max Planck Institut für Kernphysik, 69117 Heidelberg, Germany)

  • STEVEN P. LEWIS

    (Department of Physics and Astronomy, Center for Simulational Physics, University of Georgia, Athens, Georgia 30602-2451, USA)

Abstract

Niobium carbide nanocrystals of ~1:1 stoichiometry have recently been observed for particle sizes ranging fromNb4C4toNb50C50. Infrared (IR) spectroscopic measurements show that a new band of IR vibrational modes appears with increasing particle size atNb9C9. Using density-functional theory, we show that the vibrational modes in the new band involve structural features present only in nanocrystals with three or more atomic layers in every direction. TheNb9C9nanocrystal is right at this structural threshold.

Suggested Citation

  • V. Alvin Shubert & Steven P. Lewis, 2012. "Size-Dependence Of Infrared Spectra In Niobium Carbide Nanocrystals," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 23(08), pages 1-11.
    • Handle: RePEc:wsi:ijmpcx:v:23:y:2012:i:08:n:s0129183112400013
    DOI: 10.1142/S0129183112400013
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