2007 NSTI Nanotechnology Conference and Trade Show - Nanotech 2007 - 10th Annual

First principles modelling of the electrical properties of emerging nanoscale devices

K. Stokbro
Atomistix Inc, US

quantum transport, NEGF-DFT, nanoscale modelling, Spin-dependent transport

When the minimum feature size of electronic devices are approaching the atomic scale it is necessary to take into account the quantum nature of electrons. This means that the local chemistry of the device plays an important role for determining the device properties. In this talk I will describe quantum mechanical calculations of nanoscale devices, based on Density Functional Theory (DFT) coupled with the Non Equilibrium Green’s Function (NEGF) method as implemented in the Atomistix Tool Kit (ATK) from Atomistix. The background of the theory will be presented as well as the limitations and future extensions. The insight that can be gained by quantum modelling of nanoscale devices will be illustrated through results for the spin-dependent transport in 1-D graphene sheets, and across interfaces between different magnetic materials.

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Nanotech 2007 Conference Program Abstract


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