Atomistix ToolKit®

Atomic-Scale ModelingSoftware for Nanoelectronics

Calculate• I–V Curve• Transistor Characteristics• Spin Current• Schottky Barrier• Leakage Current• Contact Resistance• Tunnel Magneto-Resistance• Charge Stability Diagram

Study• Graphene & Nanotubes• Nanowires• Magnetic Tunnel Junctions• Molecular Electronics• Complex Interfaces (MOS etc)• High-k Dielectrics• Spintronics• Single-Electron Transistors

Atomistix ToolKit (ATK) o�ers 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 �rst -principles (DFT) and fast semi-empirical methods. Moreover, ATK includes a very advanced electro -static model to allow realistic simulations of nanoscale transistor structures.

ATK is also an ideal tool for educational courses in various subjects, from basic quantum mechan -ics to graduate courses in nanoelectronics. Special discounts are available for teaching licenses.Since 2006, over 500 scienti�c articles have been published using ATK. 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 (see other side).

www.quantumwise.comVisit our website for a free trial!

Application areas

The unique capabilities of Atomistix ToolKit are currently being applied in a wide variety of areas, such as carbon and molecular electronics, nano-wires, spintronics devices, as well as assessing the structural and electrical properties of new electronic materials like high-k dielectrics or organic electronic materials.

More information and detailed case studies can be found at the QuantumWise web site.

Molecular electronics

• Current–voltage (I–V) characteristics of rectifying molecular junctions (single molecules between metal electrodes), i.e. molecular diodes, and switches. The molecule can be organic, like dithiolbenzene or bipyridine, magnetic, such as ferrocene, a metallic nanocluster, etc.

• Resistivity of insulating or conducting molecular wires, free or attached to surfaces.

• Investigation of optical switches

Carbon-based electronics

• Transport properties (conductance, I–V) of carbon or boron-nitride nanotubes, with or without defects and impurities.

• Graphene nanoribbons, e.g. for �eld-e�ect transistor applications; also bilayer structures.

• Multiwall nanotubes, for applications as nanoscale variable resistors or capacitors.

• Contact resistance and capacitance of metal, nanotube and graphene interfaces and junctions.

• I–V characteristics of functionalized nanotubes or graphene for sensor applications.

Semiconductor applications

• Schottky barriers and leakage currents in ultrashallow metal/oxide/semiconductor junctions, with defects or impurities.

• Properties of novel high/low-� dielectrics.• Activation energies of defect di�usion.• Formation energies of defect states

in semiconductors, nanowires, or nanotubes.

Nanowires

• I–V characteristics of metallic nanowires and atomic point contacts.

• Surface states in semiconducting nanowires.• Work function of nanostructured surfaces

(nanoclusters, wires).• Electromigration and non-equillibrium current -

induced forces in atomic wires.

Three-terminal devices

• Advanced electrostatic model with dielectric and biased metallic regions

• Calculation of transistor characteristics• Charge stability diagrams of weakly coupled

single-electron transistors in Coulomb blockade regime (sequential tunneling)

Magnetic systems and spintronics

• Spin tunneling mechanisms in magnetotunnel junctions (MTJ) for MRAM/read head applica -tions.

• Spin torque transfer in MTJs.• I–V characteristics of molecular

spintronics structures.• Spintronics in graphene.• Transport properties

of magnetic metallic nanowires.

Participants of Nano-India Days will get a free 1 month trial wherebythey can follow our online tutorial and create nano-devices.Just indicate “Nano India Days” onour trial request page found in www.quantumwise.com

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