Two-electron states of a group-V donor in silicon from atomistic full configuration interactions

Archana Tankasala, Joseph Salfi, Juanita Bocquel, Benoit Voisin, Muhammad Usman, Gerhard Klimeck, Michelle Y. Simmons, Lloyd C. L. Hollenberg, Sven Rogge, and Rajib Rahman
Phys. Rev. B 97, 195301 – Published 2 May 2018

Abstract

Two-electron states bound to donors in silicon are important for both two-qubit gates and spin readout. We present a full configuration interaction technique in the atomistic tight-binding basis to capture multielectron exchange and correlation effects taking into account the full band structure of silicon and the atomic-scale granularity of a nanoscale device. Excited s-like states of A1 symmetry are found to strongly influence the charging energy of a negative donor center. We apply the technique on subsurface dopants subjected to gate electric fields and show that bound triplet states appear in the spectrum as a result of decreased charging energy. The exchange energy, obtained for the two-electron states in various confinement regimes, may enable engineering electrical control of spins in donor-dot hybrid qubits.

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  • Received 14 March 2017
  • Revised 22 March 2018

DOI:https://doi.org/10.1103/PhysRevB.97.195301

©2018 American Physical Society

Physics Subject Headings (PhySH)

  1. Research Areas
Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Archana Tankasala1,*, Joseph Salfi2, Juanita Bocquel2, Benoit Voisin2, Muhammad Usman3, Gerhard Klimeck1, Michelle Y. Simmons2, Lloyd C. L. Hollenberg3, Sven Rogge2, and Rajib Rahman1,†

  • 1Network for Computational Nanotechnology, Purdue University, West Lafayette, Indiana 47907, USA
  • 2Centre for Quantum Computation and Communication Technology, School of Physics, The University of New South Wales, Sydney, 2052 New South Wales, Australia
  • 3Centre for Quantum Computation and Communication Technology, School of Physics, The University of Melbourne, Parkville, 3010 Victoria, Australia

  • *atankas@purdue.edu
  • rrahman@purdue.edu

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Issue

Vol. 97, Iss. 19 — 15 May 2018

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