Calculate the band structure of a bulk crystal

In this basic tutorial, you will learn to use Virtual NanoLab for calculating the band structure and some other properties of a crystal. The tutorial does not discuss the science of such a calculation much; the purpose of the tutorial is to show how to operate VNL, specifically how to set up calculations and visualize the results.

• Category

  Science & Technology

[Nguyen Chuong]

How to calculation the band structure of graphene/h-AlN (0001) interface?

[QuantumWiseTV]

An interface does not really have a band structure since it's not a periodic material. Well, it's periodic in the interface plane, but usually for an interface like that you are really interested in other properties than the traditional band structure, and those properties can be studied with ATK. See for instance our tutorial on the interface between Ni and graphene (PRB 85, 165442 (2012)) and also the Ni|graphene|Ni study in PRB 85, 184426 (2012).