Journal article

Donor hyperfine Stark shift and the role of central-cell corrections in tight-binding theory

Muhammad Usman, Rajib Rahman, Joe Salfi, Juanita Bocquel, Benoit Voisin, Sven Rogge, Gerhard Klimeck, Lloyd LC Hollenberg

JOURNAL OF PHYSICS-CONDENSED MATTER | IOP PUBLISHING LTD | Published : 2015

Abstract

Atomistic tight-binding (TB) simulations are performed to calculate the Stark shift of the hyperfine coupling for a single arsenic (As) donor in silicon (Si). The role of the central-cell correction is studied by implementing both the static and the non-static dielectric screenings of the donor potential, and by including the effect of the lattice strain close to the donor site. The dielectric screening of the donor potential tunes the value of the quadratic Stark shift parameter (η2) from -1.3 × 10(-3) µm(2) V(-2) for the static dielectric screening to -1.72 × 10(-3) µm(2) V(-2) for the non-static dielectric screening. The effect of lattice strain, implemented by a 3.2% change in the As-Si ..

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Grants

Awarded by ARC Center of Excellence for Quantum Computation and Communication Technology


Awarded by US Army Research Office


Funding Acknowledgements

This work is funded by the ARC Center of Excellence for Quantum Computation and Communication Technology (CE1100001027), and in part by the US Army Research Office (W911NF-08-1-0527). Computational resources are acknowledged from National Science Foundation (NSF) funded Network for Computational Nanotechnology (NCN) through http://nanohub.org. NEMO 3D based open source tools are available at: https://nanohub.org/groups/nemo_3d_distribution.