Abstract
An organic molecule-based single-electron transistor (SET) is analysed by ab initio method using Density Functional Theory (DFT). Initially, benzene molecule is taken; two carbon atoms from benzene are replaced by boron atoms, and the structure of the molecule is optimized. The optimized structure C4H6B2 is kept above the gate dielectric in the island for weak coupling. The charge energies of device are calculated in both isolated and SET environment. We have done analysis by using different electrodes with gold (work function = 5.28 eV), osmium (work function = 5.93 eV) and caesium (work function = 2.14 eV) in SET environment. By charge stability diagrams, the conductance dependence of SET on gate voltage and bias potential are verified.
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The authors thank the department of science and technology of the government of India for partially funding this work.
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Abhinav, E.M., Mohan, M.C., Reddy, A.S., Chary, V., Thirupathi, M. (2016). Analysis of Organic Molecular Single-Electron Transistor Using C4H6B2 with Different Metal Electrodes. In: Satapathy, S., Raju, K., Mandal, J., Bhateja, V. (eds) Proceedings of the Second International Conference on Computer and Communication Technologies. Advances in Intelligent Systems and Computing, vol 379. Springer, New Delhi. https://doi.org/10.1007/978-81-322-2517-1_8
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DOI: https://doi.org/10.1007/978-81-322-2517-1_8
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