Frontiers of Physics

, 12:127303 | Cite as

Conductance switching of a phthalocyanine molecule on an insulating surface

  • Kun Peng Dou (豆坤鵬)
  • Chao-Cheng Kaun (關肇正)
Research Article
Part of the following topical collections:
  1. Recent Progress on Quantum Transport in Nano and Mesoscopic Systems

Abstract

We study the electron transport through the double-barrier junction consisted of the phthalocyanine molecule adsorbed on a NaCl bilayer on a metal substrate and the STM tip from first principles. The hydrogen tautomerization reaction happened in the molecule changes the spatial extensions of the molecular π orbitals under the tip, leading to junction conductance switching. Shifting the molecule to locate on different ions also varies the conductance. The transport channels of the tautomers on different adsorbed sites are identified.

Keywords

first-principles calculations double-barrier junction NaCl bilayer tautomerization molecular electronics 

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Copyright information

© Higher Education Press and Springer-Verlag Berlin Heidelberg 2017

Authors and Affiliations

  • Kun Peng Dou (豆坤鵬)
    • 1
  • Chao-Cheng Kaun (關肇正)
    • 1
    • 2
  1. 1.Research Center for Applied SciencesAcademia SinicaTaipeiChina
  2. 2.Department of PhysicsNational Tsing-Hua UniversityHsinchuChina

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