Authors: Y. Wi Li, G.P. Yin and J.W. Zhao
Affilation: Harbin Institute of Technology, China
Pages: 466 - 472
Keywords: molecular electronics, external electric field, electronic structures
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.