Solitonic states in organic conducting polymers

In a typical solitonic distribution, the soliton density is distributed over the entire moleculeand the present work shows how its density can be decomposed into solitonic and antisolitoniccomponents. It is found that there exists a unique electron as soliton over the anionicnanoconductor, while there are many other solitons and antisolitons. The solitonic states are furtherdecomposed to the canonical molecule orbitals including the highest occupied molecular orbital(HOMO) and lowest unoccupied molecular orbital (LUMO), and it is concluded that LUMO is notnecessarily occupied by one electron in the studied molecules. Also, analogous electrons werefound to be responsible for spin separation which is revealed from distinct contributions in differentmolecular regions of the nanoconductor.

کلیدواژه ها:

Nanoconductor ، Soliton ، Spin