Full configuration interaction simulations of exchange-coupled donors in silicon using multi-valley effective mass theory
Abstract
Abstract Donor spins in silicon have achieved record values of coherence times and single-qubit gate fidelities. The next stage of development involves demonstrating high-fidelity two-qubit logic gates, where the most natural coupling is the exchange interaction. To aid the efficient design of scalable donor-based quantum processors, we model the two-electron wave function using a full configuration interaction method within a multi-valley effective mass theory. We exploit the high computational efficiency of our code to investigate the exchange interaction, valley population, and electron densities for two phosphorus donors in a wide range of lattice positions, orientations, and as a function of applied electric fields. The outcomes are visualized with interactive images where donor positions can be swept while watching the valley and orbital components evolve accordingly. Our results provide a physically intuitive and quantitatively accurate understanding of the placement and tuning criteria necessary to achieve high-fidelity two-qubit gates with donors in silicon.
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1835348
- Grant/Contract Number:
- NA0003525
- Resource Type:
- Published Article
- Journal Name:
- New Journal of Physics
- Additional Journal Information:
- Journal Name: New Journal of Physics Journal Volume: 23 Journal Issue: 7; Journal ID: ISSN 1367-2630
- Publisher:
- IOP Publishing
- Country of Publication:
- United Kingdom
- Language:
- English
Citation Formats
Joecker, Benjamin, Baczewski, Andrew D., Gamble, John K., Pla, Jarryd J., Saraiva, André, and Morello, Andrea. Full configuration interaction simulations of exchange-coupled donors in silicon using multi-valley effective mass theory. United Kingdom: N. p., 2021.
Web. doi:10.1088/1367-2630/ac0abf.
Joecker, Benjamin, Baczewski, Andrew D., Gamble, John K., Pla, Jarryd J., Saraiva, André, & Morello, Andrea. Full configuration interaction simulations of exchange-coupled donors in silicon using multi-valley effective mass theory. United Kingdom. https://doi.org/10.1088/1367-2630/ac0abf
Joecker, Benjamin, Baczewski, Andrew D., Gamble, John K., Pla, Jarryd J., Saraiva, André, and Morello, Andrea. Tue .
"Full configuration interaction simulations of exchange-coupled donors in silicon using multi-valley effective mass theory". United Kingdom. https://doi.org/10.1088/1367-2630/ac0abf.
@article{osti_1835348,
title = {Full configuration interaction simulations of exchange-coupled donors in silicon using multi-valley effective mass theory},
author = {Joecker, Benjamin and Baczewski, Andrew D. and Gamble, John K. and Pla, Jarryd J. and Saraiva, André and Morello, Andrea},
abstractNote = {Abstract Donor spins in silicon have achieved record values of coherence times and single-qubit gate fidelities. The next stage of development involves demonstrating high-fidelity two-qubit logic gates, where the most natural coupling is the exchange interaction. To aid the efficient design of scalable donor-based quantum processors, we model the two-electron wave function using a full configuration interaction method within a multi-valley effective mass theory. We exploit the high computational efficiency of our code to investigate the exchange interaction, valley population, and electron densities for two phosphorus donors in a wide range of lattice positions, orientations, and as a function of applied electric fields. The outcomes are visualized with interactive images where donor positions can be swept while watching the valley and orbital components evolve accordingly. Our results provide a physically intuitive and quantitatively accurate understanding of the placement and tuning criteria necessary to achieve high-fidelity two-qubit gates with donors in silicon.},
doi = {10.1088/1367-2630/ac0abf},
journal = {New Journal of Physics},
number = 7,
volume = 23,
place = {United Kingdom},
year = {Tue Jul 13 00:00:00 EDT 2021},
month = {Tue Jul 13 00:00:00 EDT 2021}
}
https://doi.org/10.1088/1367-2630/ac0abf
Works referenced in this record:
Storing quantum information for 30 seconds in a nanoelectronic device
journal, October 2014
- Muhonen, Juha T.; Dehollain, Juan P.; Laucht, Arne
- Nature Nanotechnology, Vol. 9, Issue 12
A silicon-based nuclear spin quantum computer
journal, May 1998
- Kane, B. E.
- Nature, Vol. 393, Issue 6681
An improved effective-mass-theory equation for phosphorus doped in silicon
journal, January 2013
- Hui, H. T.
- Solid State Communications, Vol. 154
Electronic states and wavefunctions of diatomic donor molecular ions in silicon: multi-valley envelope function theory
journal, January 2014
- Klymenko, M. V.; Remacle, F.
- Journal of Physics: Condensed Matter, Vol. 26, Issue 6
A single-atom electron spin qubit in silicon
journal, September 2012
- Pla, Jarryd J.; Tan, Kuan Y.; Dehollain, Juan P.
- Nature, Vol. 489, Issue 7417
A two-qubit gate between phosphorus donor electrons in silicon
journal, July 2019
- He, Y.; Gorman, S. K.; Keith, D.
- Nature, Vol. 571, Issue 7765
Conditional quantum operation of two exchange-coupled single-donor spin qubits in a MOS-compatible silicon device
journal, January 2021
- Ma̧dzik, Mateusz T.; Laucht, Arne; Hudson, Fay E.
- Nature Communications, Vol. 12, Issue 1
Valley interference and spin exchange at the atomic scale in silicon
journal, November 2020
- Voisin, B.; Bocquel, J.; Tankasala, A.
- Nature Communications, Vol. 11, Issue 1
Impact of the valley degree of freedom on the control of donor electrons near a Si/SiO interface
journal, July 2012
- Baena, A.; Saraiva, A. L.; Koiller, Belita
- Physical Review B, Vol. 86, Issue 3
Coherent coupling between a quantum dot and a donor in silicon
journal, October 2017
- Harvey-Collard, Patrick; Jacobson, N. Tobias; Rudolph, Martin
- Nature Communications, Vol. 8, Issue 1
Multivalley Effective-Mass Approximation for Donor States in Silicon. I. Shallow-Level Group-V Impurities
journal, November 1971
- Ning, T. H.; Sah, C. T.
- Physical Review B, Vol. 4, Issue 10
Quantum control and manipulation of donor electrons in Si-based quantum computing
journal, June 2009
- Calderón, M. J.; Saraiva, A.; Koiller, Belita
- Journal of Applied Physics, Vol. 105, Issue 12
Theory of localized states in semiconductors. I. New results using an old method
journal, July 1974
- Pantelides, Sokrates T.; Sah, C. T.
- Physical Review B, Vol. 10, Issue 2
Single-shot readout of an electron spin in silicon
journal, September 2010
- Morello, Andrea; Pla, Jarryd J.; Zwanenburg, Floris A.
- Nature, Vol. 467, Issue 7316
Charge Noise Spectroscopy Using Coherent Exchange Oscillations in a Singlet-Triplet Qubit
journal, April 2013
- Dial, O. E.; Shulman, M. D.; Harvey, S. P.
- Physical Review Letters, Vol. 110, Issue 14
A single-atom transistor
journal, February 2012
- Fuechsle, Martin; Miwa, Jill A.; Mahapatra, Suddhasatta
- Nature Nanotechnology, Vol. 7, Issue 4
Optimization of a solid-state electron spin qubit using gate set tomography
journal, October 2016
- Dehollain, Juan P.; Muhonen, Juha T.; Blume-Kohout, Robin
- New Journal of Physics, Vol. 18, Issue 10
Theory of one and two donors in silicon
journal, March 2015
- Saraiva, A. L.; Baena, A.; Calderón, M. J.
- Journal of Physics: Condensed Matter, Vol. 27, Issue 15
Quantifying the quantum gate fidelity of single-atom spin qubits in silicon by randomized benchmarking
journal, March 2015
- Muhonen, J. T.; Laucht, A.; Simmons, S.
- Journal of Physics: Condensed Matter, Vol. 27, Issue 15
Determination of the Donor Pair Exchange Energy in Phosphorus-Doped Silicon
journal, January 1970
- Cullis, P. R.; Marko, J. R.
- Physical Review B, Vol. 1, Issue 2
Molecular orbital calculations of two-electron states for P-donor solid-state spin qubits
journal, March 2006
- Kettle, L. M.; Goan, Hsi-Sheng; Smith, Sean C.
- Physical Review B, Vol. 73, Issue 11
An Exchange-Coupled Donor Molecule in Silicon
journal, September 2014
- Gonzalez-Zalba, M. F.; Saraiva, André; Calderón, María J.
- Nano Letters, Vol. 14, Issue 10
Computation of the Stark effect in P impurity states in silicon
journal, July 2006
- Debernardi, A.; Baldereschi, A.; Fanciulli, M.
- Physical Review B, Vol. 74, Issue 3
Extending the coherence of a quantum dot hybrid qubit
journal, August 2017
- Thorgrimsson, Brandur; Kim, Dohun; Yang, Yuan-Chi
- npj Quantum Information, Vol. 3, Issue 1
Electronic states and valley-orbit coupling in linear and planar molecules formed by coupled P donors in silicon
journal, May 2017
- Klymenko, M. V.; Rogge, S.; Remacle, F.
- Physical Review B, Vol. 95, Issue 20
Valley splitting of single-electron Si MOS quantum dots
journal, December 2016
- Gamble, John King; Harvey-Collard, Patrick; Jacobson, N. Tobias
- Applied Physics Letters, Vol. 109, Issue 25
Comparison of low frequency charge noise in identically patterned Si/SiO 2 and Si/SiGe quantum dots
journal, June 2016
- Freeman, Blake M.; Schoenfield, Joshua S.; Jiang, HongWen
- Applied Physics Letters, Vol. 108, Issue 25
Multivalley spin splitting of states for sulfur, selenium, and tellurium donors in silicon
journal, February 1982
- Grimmeiss, H. G.; Janzén, E.; Larsson, K.
- Physical Review B, Vol. 25, Issue 4
Uniaxial Stress and Magnetic Field Effects on Far-Infrared Photoconductivity of D - Centers in P, As and Li Doped Si Crystals
journal, July 1982
- Narita, Shin-ichiro; Shinbashi, Takahisa; Kobayashi, Michihiro
- Journal of the Physical Society of Japan, Vol. 51, Issue 7