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Electronic band structure and the density of states of (a,b) the G-Cu complex and, (c,d) the G-Ti complex, calculated using the vasp4.6 code (blue curves) and the proposed model (red curves).
Current-voltage characteristics of (a,f) Cu-G-Cu, (b,g) Au-G-Au, (c,h) Pt-G-Pt, (d,i) Pd-G-Pd, and (e,j) Ti-G-Ti complexes. The five upper panels are resulted from the calculation using the values of and given in Table I, and the five lower ones using the one-order smaller values.
Images of the transmission probability as a function of the wave vector k and the energy E for different values of voltage for two complexes: Cu-G-Cu (four upper panels) and Pd-G-Pd (four lower panels).
Roughly estimated values for the model parameters and the resistivity/conductivity of several G-M complexes.
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