TITLE

Identification of metal-cage coupling in a single metallofullerene by inelastic electron tunneling spectroscopy

AUTHOR(S)
Jiang, J.; Gao, B.; Hu, Z. P.; Wei Lu; Wu, Z. Y.; Yang, J. L.; Luo, Y.
PUB. DATE
June 2010
SOURCE
Applied Physics Letters;6/21/2010, Vol. 96 Issue 25, p253110
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
We report hybrid density functional theory calculations for inelastic electron tunneling spectroscopy (IETS) of a single metallofullerene Gd@C82. It is found that the metal atom inside the carbon cage can have significant impact on the IETS spectral profiles of the system, by modulating both the vibration and electron density. It is demonstrated that the IETS signals are very sensitive to the changes in the metal position and charge states, so that provide a unique tool for identifying the metal-cage coupling in metallofullerenes.
ACCESSION #
51709497

 

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