First-principles simulation software for nanoscience
Atomistix ToolKit (ATK) from QuantumWise is a quantum-mechanical software package that offers unique capabilities for simulating electrical transport properties of nanodevices on the atomic scale. Based on an open architecture which integrates a powerful scripting language with a graphical user interface, ATK is a comprehensive platform for studies in nanoelectronics, using both accurate first-principles and fast semi-empirical methods.
A special focus is placed on treating large-scale systems with upwards of 1,000 atoms. Moreover, ATK includes a very advanced electrostatic model to allow realistic simulations of nanoscale transistor structures.
ATK also offers basic electronic structure calculations, including geometry optimization, of molecules and periodic structures like bulk crystals, nanotubes, slabs, etc.
The software is used by over 100 research groups at leading universities, government labs, and electronics companies around the world, in a wide range of application areas. Since 2006, over 250 scientific articles were published using ATK, and many new unique features are planned for release already during 2010.
Study
- Graphene
- Nanotubes
- Nanowires
- Magnetic Tunnel Junctions
- Molecular Electronics
- Spintronics
- High-k Dielectrics
- Three-Terminal Devices
- Single-Electron Transistors
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Calculate
- Electronic Structure
- I–V Curves
- Spin Current
- Schottky Barriers
- Conductance
- Contact Resistance
- Tunnel Magneto-Resistance
- Transistor Characteristics
- Charge Stability Diagrams
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Selected case studies:
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