Conductance switching of a phthalocyanine molecule on an insulating surface

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• 作者：Kun Peng Dou 豆坤鵬 ; Chao-Cheng Kaun 關肇正
• 关键词：first ; principles calculations ; double ; barrier junction ; NaCl bilayer ; tautomerization ; molecular electronics
• 刊名：Frontiers of Physics
• 出版年：2017
• 出版时间：August 2017
• 年：2017
• 卷：12
• 期：4
• 全文大小：938 KB
• 刊物类别：Physics and Astronomy
• 刊物主题：Physics
  Chinese Library of Science
  
• 出版者：Higher Education Press, co-published with Springer-Verlag GmbH
• ISSN：2095-0470
• 卷排序：12

文摘

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.