2012年10月15日
Electron--Vibron Interaction Effects on Scanning Tunneling Microscopy Current through Melamine Adsorbed on Cu(100)
J Phys Soc Jpn
- ,
- ,
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- 巻
- 81
- 号
- 10
- 開始ページ
- 104711
- 終了ページ
- 104711-7
- 記述言語
- 英語
- 掲載種別
- DOI
- 10.1143/JPSJ.81.104711
- 出版者・発行元
- The Physical Society of Japan
Electron transport through the melamine molecule was studied. Melamine molecules adsorbed on a Cu(100) surface were investigated by density functional theory (DFT) calculations with the dynamical matrix method. On the basis of calculation results, a model Hamiltonian for a system composed of scanning tunneling microscope (STM), a melamine molecule, and a Cu surface was proposed, taking into account electron--vibron (electron--molecular vibrations) interactions within the melamine molecule. Then, the electronic current was formulated by the nonequilibrium Green's function (NEGF) method. Results show that current is affected by the electron--vibron interactions defined in the melamine molecule through its controllable structural changes. The rectification and fluctuation of current are triggered by low-energy electron--vibron interactions. Furthermore, the electron--vibron interaction effect is found to be enhanced as temperature increases to where higher-energy vibrons begin to be excited at lower energies. However, current becomes uniform at higher temperatures, which shows an undesired sensitivity. The weakening of the electron--vibron interaction of the out-of-molecular-plane vibrational motion can transfer the melamine molecule in its tautomerization state into a current rectifier. The reduction or induction of the repulsion of lone pairs of consecutive N atoms causes the induction or reduction of the low-energy in-plane vibrational motion, which in turn causes the switching of the I--V characteristics between less stable melamine tautomers.
- リンク情報
- ID情報
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- DOI : 10.1143/JPSJ.81.104711
- ISSN : 0031-9015
- CiNii Articles ID : 40019447558
- CiNii Books ID : AA00704814