TOOLS
- Electron irradiation simulator for h-BN/graphene A simple kinetic Monte Carlo (KMC) code for modelling electron beam induced sputtering of target atoms, say under a TEM, from a two dimensional hexagonal lattice. Graphene and h-BN are implemented. One needs the displacement threshold energies for each atom type both for a 3-coordinated and a 2-coordinated atom. The default values are estimates for h-BN obtained via DFT calculations. The results obtained with this tool were published in [Phys. Rev. B 82, 113404 (2010)]. This tool can be used directly in the website.
(2010-02-25 by Jani)
- Ion irradiation simulator for graphene Similar to the electron irradiation simulator, we implemented a KMC simulator for estimation ion irradiation-induced damage in graphene. The defects which are created by the ion impacts are selected from a defect database which was collected using classical MD simulations [Phys. Rev. B 81, 153401 (2010)][arXiv: 1102.0737, under review]. The tool can be used to optimize irradiation parameters for focused ion beam (FIB) cutting of graphene or to introduce only preselected defect types to this material with ion irradiation. This tool can be used directly in the website. Results obtained with this method are under review to be published in Applied Physics Letters.
(2010-08-11 by Jani)
