Molecular Crystals and Liquid Crystals, Vol.574, No.1, 135-142, 2013
Quantum Transport in -Cyclopentadienyl Indium Complex
The electronic structure and conductance of a -cyclopentadienyl indium (CpIn) multidecker complex have been examined by using the density functional theory (DFT). The electrical conduction of the complex between gold electrodes is investigated by using Green's function formalism. The one-dimensional band structure exhibited semiconducting properties. The Cp5In4 complex, which had a long molecular length, between gold electrodes, exhibited low electrical conduction. On the other hand, the Cp3In2 complex between the gold electrodes had transmission at the Fermi level. The IV curves suggest the intrinsic characteristics of semiconducting properties and the suppression of strong tunneling effect.