Dresden 2017 – scientific programme

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O: Fachverband Oberflächenphysik

O 65: Electronic Structure Theory: New Concepts and Developments in Density Functional Theory and Beyond

O 65.6: Poster

Tuesday, March 21, 2017, 18:30–20:30, P2-OG4

An Investigation of Group V dopants in Silicon using Linear Scaling DFT — •Jack Poulton and David Bowler — London Centre for Nanotechnology, 19 Gordon St, London, WC1H 0AH

The aim of our work is to model the incorporation and properties of group V element dopants in silicon using linear scaling density functional theory. In doing so we hope to learn how to incorporate new impurities and make predictions as to how the behaviour of these impurities for comparison with experimental data. This will then allow us to determine the suitability of certain dopants for usage as qubits in a silicon based solid state quantum computer.