In this tutorial you will use density functional theory to explore:

• Binding energy of crystalline silicon
• Electronic structure, development of its band structure
• Explore the development of the bandgap

This module uses the DFT Materials Property Simulator: https://nanohub.org/resources/dftmatprop

Researchers should cite this work as follows:

• David M Guzman, Alejandro Strachan (2019), "Binding and electronic structure of Si with density functional theory," https://nanohub.org/resources/30102.

  BibTex | EndNote

1. bonding
2. density functional theory (DFT)
3. electronic structure