2007 NSTI Nanotechnology Conference and Trade Show - Nanotech 2007 - 10th Annual

Electric Filed Modulation on the Geometric and Electronic Structures of Diblock Molecule

Y. Wi Li, G.P. Yin and J.W. Zhao
Harbin Institute of Technology, CN

Keywords:
molecular electronics, external electric field, electronic structures

Abstract:
Theoretical investigations on the diblock molecule, thiophene-thiazole compound, have been carried out at Hartree-Fock (HF) level by considering the interaction from the external electric field (EF). It demonstrates the external EF modifies both the geometric and electronic structures. In particular, these features show strong EF direction dependence.

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