Electrons in coupled stereo-irregular chains

Abstract

Two interacting stereo-irregular chains of hydrogen atoms coupled at a finite number of bridge points are simulated by a computer and are solved numerically via the unrestricted Hartree-Fock approximation with a modified spin-polarized potential. The electron localization is studied with the inverse participation ratio and the moment analysis. We discovered that the eigenstates in the lower part of the spectrum are localized around the bridge points due to the random ionic potential. The resultant random potential is screened by the electrons occupying the intermediate region of the spectrum. Thus electrons near the Fermi energy feel a smooth potential and can tunnel through the bridge points. Connection between the present calculation and conducting polymers is discussed.