Kaasbjerg, Semiempirical model for nanoscale device simulations, Phys. Stokbro, Efficient wave function matching approach for quantum transport calculations, Phys Rev. The ToolKit includes both first principles and semi-empirical methods and use Non Equilibrium Greens Functions (NEGF) to model the nano-structure under an applied bias. ATK is a software package comprising a number of simulation methods for atomic-scale modeling of nano-structures. The calculations were performed with the Atomistix ToolKit (ATK) from QuantumWise. We find only weak quantum tunneling and show that the GNR has much better transistor characteristics compared to the CNT. For the GNR transistor we use a structure comprising of two metallic GNRs separated by a semi-conducting GNR. We find that the performance of the device is weakened by quantum tunneling and show that it is related to inefficient control by the back gate. We studied the properties of a semi-conducting CNT attached to metallic electrodes and controlled by a triple back gate. QuantumWise was acquired by Synopsys in 2017. The company is working in close collaboration with the Nano-Science Center at the Niels Bohr Institute of Copenhagen University. We present atomic-scale simulations which compare the characteristics of transistors made of Carbon Nano Tubes (CNT) and Graphene Nano Ribbons (GNR). QuantumWise is a provider of software solutions for development of nanotechnology.
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