Atomistix ToolKit (ATK) is a software package that offers unique capabilities for simulating nanostructures on the atomic scale

• NEGF simulations  to study transport properties like I-V characteristics of nanoelectronic devices
• Powerful combination of DFT, semi-empirical tight-binding, classical potentials in the same package
• Advanced graphical user interface for building complicated structures like interfaces and transport systems
• Plugin-based platform which can interface with external codes
• Python scripting interface

The software is used by over 150 research groups at leading universities, government labs, and companies around the world, in a wide range of application areas. Since 2006, more than 600 scientific articles have been published using ATK. With its graphical user interface, ATK is also an ideal tool for teaching basic concepts of nanotechnology, solid state physics, etc.

Watch a demo calculation with ATK!
(click player to enlarge)

Dim lights

• Graphene
• Nanotubes
• Metal/Semiconductor Interfaces
  
• Nanowires
• Magnetic Tunnel Junctions
• Molecular Electronics
• Spintronics
• Grain Boundaries
  
• High-k Dielectrics
• Three-Terminal Devices
• Single-Electron Transistors
  

• Electronic Structure
• I–V Curves
• Spin Current
• Schottky Barriers
• Conductance
• Complex Band Structure
  
• Contact Resistance
• Activation Energies
  
• Tunnel Magneto-Resistance
• Transistor Characteristics
  
• SET Charge Stability Diagrams