@article{870714703e2647ccb8cd79db21884b7d,
title = "Ab initio study of single-molecule rotation switch based on nonequilibrium Green's function theory",
abstract = "The bistable molecular switches have been studied theoretically based on the first-principles calculation. The geometry structures of the switches studied in this paper can be triggered between two symmetrical structures by using an external applied electric field. I-V characteristic curves of the different molecule configurations have been calculated, and distinguishability of these characteristic curves indicates a switching behavior, the performance of which can be improved significantly by some suitable donors and acceptors.",
author = "Liang, {Y. Y.} and F. Jiang and Zhou, {Y. X.} and H. Chen and R. Note and H. Mizuseki and Y. Kawazoe",
note = "Funding Information: This work was supported by the National Natural Science Foundation of China under Grant Nos. 10574024 and 90606024, the MOST of China (973 Project No. 2006CB921300), and Fudan High-end Computing Center. The authors gratefully acknowledge SR8000 supercomputer resources from the Center for Computational Materials Science of the Institute for Materials Research, Tohoku University. ",
year = "2007",
doi = "10.1063/1.2771156",
language = "English",
volume = "127",
journal = "Journal of Chemical Physics",
issn = "0021-9606",
publisher = "American Institute of Physics",
number = "8",
}