1 research outputs found
Are better conducting molecules more rigid?
We investigate the electronic origin of the bending stiffness of conducting
molecules. It is found that the bending stiffness associated with electronic
motion, which we refer to as electro-stiffness, , is governed by
the molecular orbital overlap and the gap width between HOMO and LUMO
levels, and behaves as . To study the
effect of doping, we analyze the electron filling-fraction dependence on
and show that doped molecules are more flexible. In addition, to
estimate the contribution of to the total stiffness, we consider
molecules under a voltage bias, and study the length contraction ratio as a
function of the voltage. The molecules are shown to be contracted or dilated,
with increasing nonlinearly with the applied bias