ATK in Education: Crystals

Use ATK and VNL to study the electronic properties of crystals and other periodic structures. You can access the database of pre-built materials or build your own from scratch. Calculate basic properties such as the band structure with a few simple clicks. You can even compute and visualize Bloch functions!

By complementing the built-in functionality with custom-made NanoLanguage scripts, the students or their teacher can go beyond the basics and study for instance

• density of states
• supercells
• forces, stress, and the equation of state
• effective mass/curvature of bands in semiconductors
• dopant energy levels in semiconductors
• energy barriers for diffusion of dopants, using the transition state algorithm in ATK
• etc...