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Microelectronics Journal. 01/2008; 39:1499-1503.
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International Journal of Nanoscience 01/2008; 7.
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ABSTRACT: The electron transport characteristics of a 1,10-dimethylene-1,10-dicarba-closo-decaborane (10-vertex carborane) single molecular conductor is investigated via the density functional-based non-equilibrium Green's function (DFT-NEGF) method. We consider three configurations for the molecular wire sandwiched between two Au(1 0 0) electrodes: the hollow site, top site and bridge site positions. Our results show that the energetically favorable hollow site configuration has a higher current intensity than the other configurations.The projection of the density of states (PDOS) and the transmission coefficients T(E) of the two-probe system at zero bias are analyzed, and it suggests that the variation of the coupling between the molecule and the electrodes with external bias leads to the higher conductance for the hollow configuration.Furthermore, the transmission coefficients of the hollow system at various external voltage biases are also investigated and it shows that the broadening of the transmission coefficient spectrum with increasing of the external voltage bias indicates a strong coupling between the molecular orbitals in the carborane and the incident states from the electrodes, and thus the current increases with increases of the bias voltage.
Physica E: Low-dimensional Systems and Nanostructures.
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ABSTRACT: We demonstrate theoretically by density functional non-equilibrium Green's function method that a much simplest two-terminal wire can exhibit switching, and we present a realistic theory of its behavior. We consider a C20-bowl molecular wire sandwiched between an Au (1 0 0) substrate and a monatomic Au scanning tunneling microscope (STM) tip. Lateral motion of the tip over the pentagon ring causes it to change from one conformation class to the other and to switch between a strongly and a weakly conducting state. Thus, surprisingly, despite their apparent simplicity, these Au/C20/Au nanowires are shown to be a convenient switch, the simplest two-terminal molecular switches to date. Experiments with a conventional STM are proposed to test these predictions.
Microelectronics Journal.
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ABSTRACT: This article has been retracted at the request of the Editorial Board of Current Applied Physics. Please see Elsevier Policy on Article Withdrawal (http://www.elsevier.com/locate/withdrawalpolicy).Reason: The authors have plagiarized part of a paper that had already appeared in J. Phys. Chem. B, 109 (2005) 3334–3339: “Changes of Coupling between the Electrodes and the Molecule under External Bias Bring Negative Differential Resistance, by Xingqiang Shi, Xiaohong Zheng, Zhenxiang Dai, Yang Wang, and Zhi Zeng”.One of the conditions of submission of a paper for publication is that authors declare explicitly that their work is original and has not appeared in a publication elsewhere. Re-use of any data should be appropriately cited. As such this article represents a severe abuse of the scientific publishing system. The scientific community takes a very strong view on this matter and we apologize to readers of the journal that this was not detected during the submission process.
Current Applied Physics.
