Every software package contains a full set of examples suitable for that version and are installed with the software. If you see examples here that are not in your installation you should consider updating to a later version of the software. These examples can be used by beginners and advanced users for product evaluation, teaching purposes, and self-training.

Required Modules

Victory Atomistic

How to compute a band structure (BS) of a material using the tight-binding (TB) formalism with Victory Atomistic.

The BS of one monolayer (1ML) of hexagonal h-MoS2 is computed using a TB set of parameters.

Special symmetry points of the reciprocal unit are Gamma, L, K and M.

A K-path is explored with enough points between each high-symmetry points allowing to draw a quasi-continuous BS.

The 1ML BS is visualized with Victory Visual. A zoom-in the energy window [-3, 4] eV allows to see the direct band-gap at K.

The band-gap value is obtained at 1.6 eV, knowing the TB parameters reproduce an abinitio calculation done in DFT/GGA.

The values of band extrema (HOCO / LUCO) can be used for a quantum transport simulation with Victory Atomistic.

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