TY - JOUR
T1 - First-principles study of phenyl ethylene oligomers as current-switch
AU - Jiang, F.
AU - Zhou, Y. X.
AU - Chen, H.
AU - Note, R.
AU - Mizuseki, H.
AU - Kawazoe, Y.
N1 - Funding Information:
The authors want to thank PhD candidate Y.Y. Liang for his helpful suggestions. This work is supported by the National Natural Science Foundation of China (NSFC) under Grant Nos. 90206031 and 10574024, and by Fudan High-end Computing Center. We gratefully acknowledge SR8000 supercomputer resources from the Center for Computational Materials Science of the Institute for Materials Research, Tohoku University.
PY - 2006/12/4
Y1 - 2006/12/4
N2 - We use a self-consistent method to study the distinct current-switch of 2′-amino-4-ethynylphenyl-4′-ethynylphenyl-5′-nitro-1-benzenethiol, from the first-principles calculations. The switch behavior is in accord with the early experiment [M.A. Reed, J.H. Tour, Sci. Am. 282 (2000) 86]. To further investigate the transport mechanism of the conformational molecular switch, we calculate the switching behavior of p-terphenyl with the rotations of the middle ring as well, the results are consistent with Reed's experiment. We also study the effect of the hydrogen atom substituting one ending sulfur atom on the transport and find that the asymmetry of I-V curves appears and the switch effect still lies in both the positive and negative bias range.
AB - We use a self-consistent method to study the distinct current-switch of 2′-amino-4-ethynylphenyl-4′-ethynylphenyl-5′-nitro-1-benzenethiol, from the first-principles calculations. The switch behavior is in accord with the early experiment [M.A. Reed, J.H. Tour, Sci. Am. 282 (2000) 86]. To further investigate the transport mechanism of the conformational molecular switch, we calculate the switching behavior of p-terphenyl with the rotations of the middle ring as well, the results are consistent with Reed's experiment. We also study the effect of the hydrogen atom substituting one ending sulfur atom on the transport and find that the asymmetry of I-V curves appears and the switch effect still lies in both the positive and negative bias range.
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U2 - 10.1016/j.physleta.2006.06.070
DO - 10.1016/j.physleta.2006.06.070
M3 - Article
AN - SCOPUS:33749516292
VL - 359
SP - 487
EP - 493
JO - Physics Letters, Section A: General, Atomic and Solid State Physics
JF - Physics Letters, Section A: General, Atomic and Solid State Physics
SN - 0375-9601
IS - 5
ER -