Journal article
Electric field reduced charging energies and two-electron bound excited states of single donors in silicon
R Rahman, GP Lansbergen, J Verduijn, GC Tettamanzi, SH Park, N Collaert, S Biesemans, G Klimeck, LCL Hollenberg, S Rogge
Physical Review B Condensed Matter and Materials Physics | Published : 2011
Abstract
We present atomistic simulations of the D0 to D- charging energies of a gated donor in silicon as a function of applied fields and donor depths and find good agreement with experimental measurements. A self-consistent field large-scale tight-binding method is used to compute the D- binding energies with a domain of over 1.4 million atoms, taking into account the full band structure of the host, applied fields, and interfaces. An applied field pulls the loosely bound D- electron toward the interface and reduces the charging energy significantly below the bulk values. This enables formation of bound excited D- states in these gated donors, in contrast to bulk donors. A detailed quantitative co..
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Awarded by European Commission
Funding Acknowledgements
We acknowledge financial support from the EC FP7 FET-proactive NanoICT projects MOLOC (215750) and AFSiD (214989), the Dutch Fundamenteel Onderzoek der Materie FOM, the Australian Research Council, the Australian Government, the US National Security Agency (NSA), and the Army Research Office (ARO) under Contract No. W911NF-04-1-0290. This research was conducted by the Australian Research Council Centre of Excellence for Quantum Computation and Communication Technology (Project No. CE110001027). NEMO 3D was initially developed at JPL, Caltech under a contract with NASA. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under Contract No. DE-AC04-94AL85000. NSF funded NCN/nanoHUB.org computational resources were used.