Atomistic Simulations of Adiabatic Coherent Electron Transport in Triple Donor Systems

Rajib Rahman, Purdue University - Main Campus
Seung H. Park, Purdue University - Main Campus
Jared H. Cole, University of Melbourne
Andrew D. Greentree, University of Melbourne
Richard P. Muller, Sandia National Laboratories
Gerhard Klimeck, Purdue University - Main Campus
Lloyd C. L. Hollenberg, University of Melbourne

Date of this Version



Phys. Rev. B 80, 035302 (2009)


This work was supported by the Australian Research Council, the Australian Government, and the U.S. National Security Agency (NSA), and the Army Research Office (ARO) under Contract No. W911NF-04-1-0290. Part of the development of NEMO-3D was initially performed at JPL, Caltech under a contract with NASA. NCN/ comoputational resources were used in this work. 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 Contact No. DE-AC04-94AL85000. J.H.C. wishes to acknowledge the support of the Alexander von Humboldt Foundation. A.D.G. and L.C.L.H. acknowledge the Australian Research Council for financial support (Projects No. DP0880466 and No. DP0770715, respectively). We also acknowledge comments from Malcolm Carroll of SNL


A solid-state analog of stimulated Raman adiabatic passage can be implemented in a triple-well solid-state system to coherently transport an electron across the wells with exponentially suppressed occupation in the central well at any point of time. Termed coherent-tunneling adiabatic passage CTAP, this method provides a robust way to transfer quantum information encoded in the electronic spin across a chain of quantum dots or donors. Using large-scale atomistic tight-binding simulations involving over 3.5106 atoms, we verify the existence of a CTAP pathway in a realistic solid-state system: gated triple donors in silicon. Realistic gate profiles from commercial tools were combined with tight-binding methods to simulate gate control of the donor to donor tunnel barriers in the presence of crosstalk. As CTAP is an adiabatic protocol, it can be analyzed by solving the time-independent problem at various stages of the pulse justifying the use of time-independent tight-binding methods to this problem. This work also involves the first atomistic treatment to translate the three-state-based quantum-optics type of modeling into a solid-state description beyond the ideal localization assumption. Our results show that a three-donor CTAP transfer, with interdonor spacing of 15 nm can occur on time scales greater than 23 ps, well within experimentally accessible regimes. The method not only provides a tool to guide future CTAP experiments but also illuminates the possibility of system engineering to enhance control and transfer times.