Calculation of the Exchange Coupling in Si:P Donor Systems

Timothy R. Starling; Cameron J. Wellard; Harry M. Quiney; Wayne Haig; Lloyd C. L. Hollenberg

doi:10.1117/12.583192

23 February 2005 Calculation of the exchange coupling in Si:P donor systems

Timothy R. Starling, Cameron J. Wellard, Harry M. Quiney, Wayne Haig, Lloyd C. L. Hollenberg

Proceedings Volume 5650, Micro- and Nanotechnology: Materials, Processes, Packaging, and Systems II; (2005) https://doi.org/10.1117/12.583192
Event: Smart Materials, Nano-, and Micro-Smart Systems, 2004, Sydney, Australia

Abstract

We examine exchange coupling in the Kate quantum computer, which consists of isolated spin-1/2 ³¹P donors in a pure Si lattice. A calculation is made using full configuration interaction, a reasonably large basis set, and a simple physical model. Basis set convergence was not obtained, and increasing the size of the matrix further appears to be computationally impractical. We therefore consider a Gaussian basis set approach. A brief description of the McMurchie-Davidson algorithm for the expansion of SGTF functions into Hermite polynomials is given. We also give the results of a single-donor computation in this basis.

Citation Download Citation

Timothy R. Starling, Cameron J. Wellard, Harry M. Quiney, Wayne Haig, and Lloyd C. L. Hollenberg "Calculation of the exchange coupling in Si:P donor systems", Proc. SPIE 5650, Micro- and Nanotechnology: Materials, Processes, Packaging, and Systems II, (23 February 2005); https://doi.org/10.1117/12.583192

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