Analysis of Organic Molecular Single-Electron Transistor Using C4H6B2 with Different Metal Electrodes

  • E. Meher Abhinav
  • M. Chandra Mohan
  • A. Suresh Reddy
  • Vemana Chary
  • Maragani Thirupathi
Conference paper
Part of the Advances in Intelligent Systems and Computing book series (AISC, volume 379)


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.


Single-electron transistor (SET) C4H6B2 Ab initio Density functional theory (DFT) Non-equilibrium greens function (NEGF) Coulomb blockage 



The authors thank the department of science and technology of the government of India for partially funding this work.


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Copyright information

© Springer India 2016

Authors and Affiliations

  • E. Meher Abhinav
    • 1
  • M. Chandra Mohan
    • 1
  • A. Suresh Reddy
    • 1
  • Vemana Chary
    • 1
  • Maragani Thirupathi
    • 1
  1. 1.Department of Electronic and CommunicationsMalla Reddy College of EngineeringHyderabadIndia

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