ATK for single-electron transistors

Home

Publications

QuantumWise News

QuantumWise

Resources

Meet us at...

Our Japanese representative will attend the 42nd Fullerenes-Nanotubes-Graphene General Symposium in Tokyo, 6-8 March.

If you plan to attend the 66th annual meeting of the Physics Society of Japan, held 24-27 March in Kwansei-Gakuin University, don't miss our poster on thermoelectric properties of graphene.

We will have a booth in the exhibit of the Graphene 2012 conference in Brussels, Belgium, 10-13 April.

QuantumWise is proud to sponsor and participate in the CECAM workshop on "Chemical and topological functionalization of graphitic surfaces: open challenges for computational modeling" in Lausanne, Switzerland, 23-25 April.

We plan to attend the 15th International Workshop on Computational Electronics (IWCE) in Madison (Wisconsin, USA), 22-25 May.

ATK for single-electron transistors

Tuesday, 01 February 2011 13:36

An article showing how ATK can be used for calculating energy stability diagrams of single-electron transistors has been published. Although Atomistix ToolKit is best known for its capabilities related to coherent, ballistic transport in nanostructures, the recent additions made to the electrostatic model (which allow for the inclusion of metallic gates and dielectric screening regions) make it possible to utilize the code in a completely different regime: sequential tunneling in weakly coupled systems, i.e. the Coulomb blockade regime. The article (which also can be obtained in a free preprint version) shows how ATK can be used to calculate energy stability diagrams of different molecules with DFT, by scanning the gate and source-drain voltages. An important ingredient in the calculations is also the ability to study charged systems, which is another recently added feature in ATK.

A tutorial has also been developed, to demonstrate in detail how this type of calculations can be carried out.

The full article reference is Kurt Stokbro, "First-Principles Modeling of Molecular Single-Electron Transistors", Journal of Physical Chemistry C 114 (48), pp 20461–20465 (2010). DOI: 10.1021/jp104811r. The article is part of the Mark Ratner Festschrift special issue.

Current ATK version:

11.8.2

(9 Dec 2011)

Latest Forum posts

Visit the Forum