Dresden 2017 – wissenschaftliches Programm
MM 35: Electronic Structure Theory: New Concepts and Developments in Density Functional Theory and Beyond
MM 35.6: Poster
Dienstag, 21. März 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.