UDC 538.915;544.032.52
© Knyr V.A., Khokhlov N.A., 2009
Analysis of electric properties of a linear cluster within the density functional theory
Calculations in frames of the density functional theory of the linear carbon cluster geometry and energetic characteristics are presented. Electronic densities for different ionization values and the corresponding energetic geometric effects are calculated. Geometry results for the neutral are in accordance with earlier calculations. The analysis of results for Z c Z=±2,±1 ions, shows possibility to use similar ions in electromechanical nanogadgets.
Keywords: nanostructure, electronic structure, carbon, clusters
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