Single-Electron Transistor Tutorial
Introduction
Benzene Single-Electron Transistor
Tutorial
Version
12.2.0
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Table of Contents
Introduction
Basic theory of a molecular single-electron transistor
The weak and strong coupling transport regimes
The energy balance in the weak coupling regime
Charge stability diagram for a SET
Properties of an isolated benzene molecule
Molecular energy spectrum of a benzene molecule
Setting up the geometry
Setting up the calculator
Molecular energy spectrum of benzene
Total energy of a charged benzene molecule
Calculations for the positive ion
Inspecting the results
Charge stability diagram of benzene with gold contacts
Generating the charge stability diagram
Properties of benzene in an SET environment
Setting up the calculation
Benzene in a supercell
Setting up the continuum regions
Setting up the calculation method
Charging energy at zero gate voltage
Molecular energy spectrum of neutral benzene in the SET geometry
Calculating the total energy of a charged benzene molecule in the SET environment
Charging energy as function of the gate voltage
Induced electrostatic potential
Total energy as function of the gate potential
Self-consistent charge stability diagram
Conclusion
Bibliography
Index
