Electronic Transmission Through a Single Impurity in a Multi-configuration Scattering Matrix Approach
作者： M. Portais , C. Joachim
DOI: 10.1007/978-3-642-38809-5_11
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摘要: A method is presented to calculate the scattering matrix of holes and electrons scattered by a molecular tunnel junction in multi-configurational electronic approach. This applicable for atomic scale systems where are delivered metallic electrodes functioning ballistic regime transport full structure considered. Applications this CI-ESQC calculation technique demonstrates that resonances built up from superposition states describing virtual reduced or oxidized during process.
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Jascha Repp, Gerhard Meyer, Sladjana M. Stojković, André Gourdon, Christian Joachim, Molecules on Insulating Films: Scanning-Tunneling Microscopy Imaging of Individual Molecular Orbitals Physical Review Letters. ,vol. 94, pp. 026803- 026803 ,(2005) , 10.1103/PHYSREVLETT.94.026803
We-Hyo Soe, Hon Seng Wong, Carlos Manzano, Maricarmen Grisolia, Mohamed Hliwa, Xinliang Feng, Klaus Müllen, Christian Joachim, Mapping the Excited States of Single Hexa-peri-benzocoronene Oligomers ACS Nano. ,vol. 6, pp. 3230- 3235 ,(2012) , 10.1021/NN300110K
G. Kalpana, B. Palanivel, M. Rajagopalan, ELECTRONIC AND STRUCTURAL PROPERTIES OF ALKALINE-EARTH OXIDES UNDER HIGH PRESSURE Physical Review B. ,vol. 52, pp. 4- 7 ,(1995) , 10.1103/PHYSREVB.52.4
J. Cerdá, M. A. Van Hove, P. Sautet, M. Salmeron, Efficient method for the simulation of STM images. I. Generalized Green-function formalism Physical Review B. ,vol. 56, pp. 15885- 15899 ,(1997) , 10.1103/PHYSREVB.56.15885
B. A. Lippmann, Julian Schwinger, Variational Principles for Scattering Processes. I Physical Review. ,vol. 79, pp. 469- 480 ,(1950) , 10.1103/PHYSREV.79.469
Yongjiang Wang, Jian Wang, Hong Guo, Eugene Zaremba, Many-electron effects on ballistic transport Physical Review B. ,vol. 52, pp. 2738- 2746 ,(1995) , 10.1103/PHYSREVB.52.2738
S Ami, M Hliwa, C Joachim, Molecular ‘OR’ and ‘AND’ logic gates integrated in a single molecule Chemical Physics Letters. ,vol. 367, pp. 662- 668 ,(2003) , 10.1016/S0009-2614(02)01732-3
James K Gimzewski, Christian Joachim, Nanoscale Science of Single Molecules Using Local Probes Science. ,vol. 283, pp. 1683- 1688 ,(1999) , 10.1126/SCIENCE.283.5408.1683
P. Sautet, C. Joachim, Electronic transmission coefficient for the single-impurity problem in the scattering-matrix approach. Physical Review B. ,vol. 38, pp. 12238- 12247 ,(1988) , 10.1103/PHYSREVB.38.12238
Martin Vérot, Serguei A. Borshch, Vincent Robert, Importance of a multiconfigurational description for molecular junctions Chemical Physics Letters. ,vol. 519, pp. 125- 129 ,(2012) , 10.1016/J.CPLETT.2011.11.013