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Photoemission spectra of deuterated silicon clusters: experiment and theory
Authors:L. Kronik, R. Fromherz, E. Ko, G. Gantefö  r  J. R. Chelikowsky
Affiliation:(1) Department of Chemical Engineering and Materials Science, Minnesota Supercomputing Institute, University of Minnesota, Minneapolis, Minnesota 55455, USA;(2) Department of Physics, University of Konstanz, 78457 Konstanz, Germany;(3) Present address: Department of Materials and Interfaces, Weizmann Institue of Science, 76100 Rehovoth, Israel
Abstract:We compare experimentally measured andab initio computedphotoelectron spectra of negatively charged deuterated siliconclusters ($$
{rm{Si}}_m {rm{D}}_n^ -  
$$
, 4lemle10, 0lenle2) produced in a plasma environment.Based on this comparison, we discuss the kinetics andthermodynamics of the cluster formation and the effect ofdeuterium on the geometrical and electronic structure of theclusters.
Keywords:36.40.-c Atomic and molecular clusters  61.46.+w Nanoscale materials: clusters, nanoparticles,nanotubes, and nanocrystals  73.22.-f Electronic structure of nanoscale materials:clusters, nanoparticles, nanotubes, andnanocrystals
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