FOURIER TRANSFORM INFRARED AND DENSITY FUNCTIONAL THEORY STUDIES OF THE VIBRATIONAL FUNDAMENTALS AND STRUCTURES OF $Ge_{n}$ CLUSTERS TRAPPED IN SOLID Ar
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Date
2002
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Ohio State University
Abstract
Fourier transform infrared measurements on germanium clusters formed by trapping in solid Ar at 12 K the products from the ablation of Ge rods using a Nd-YAG laser are being carried out in conjunction with density functional theory calculations on $Ge_{n}$ structures, vibrational fundamentals, and isotopic shifts. Overlapping isotopic shifts from the large number of naturally occurring Ge isotopes complicate the FTIR spectra. Positive identification of the $Ge_{n}$ species responsible, assignment of their vibrational fundamentals, and determination of their structures therefore depend on comparison of the observed FTIR spectra with simulated spectra based on DFT predictions. Structures of $Ge_{n}$ clusters are compared with the structures previously determined for their $Si_{n}$ counterparts.
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Author Institution: Department of Physics and Astronomy, TUC