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Title: Quadrupolar interactions between acceptor pairs in $$\mathcal{p}$$-doped semiconductors

Abstract

Here, we consider the interaction between acceptor pairs in doped semiconductors in the limit of large interacceptor separation relevant for low doping densities. Modeling individual acceptors via the spherical model of Baldereschi and Lipari, we calculate matrix elements of the quadrupole tensor between the four degenerate ground states and show that the acceptor has a nonzero quadrupole moment. As a result, the dominant contribution to the large-separation acceptor-acceptor interaction comes from direct (charge-density) terms rather than exchange terms. The quadrupole is the leading nonzero moment, so the electric quadrupole-quadrupole interaction dominates for large separation. We calculate the matrix elements of the quadrupole-quadrupole interaction Hamiltonian in a product-state basis and diagonalize, obtaining a closed-form expression for the energies and degeneracies of the sixteen-state energy spectrum. All dependence on material parameters enters via an overall prefactor, resulting in surprisingly simple and universal results. This simplicity is due, in part, to a mathematical happenstance, the nontrivial vanishing of a particular Wigner 6-$$\mathcal{j}$$ symbol, $$^\{\frac{^2_3}{\small2} \frac{^2_3}{\small2} \frac{^2_3}{\small2}$$$$^\}$$ = 0. Results are relevant to the control of two-qubit interactions in quantum computing implementations based on acceptor spins, as well as calculations of the thermodynamic properties of insulating $$\mathcal{p}$$-type semiconductors.

Authors:
ORCiD logo [1]; ORCiD logo [1];  [2]
  1. Hofstra University, Hempstead, NY (United States)
  2. Princeton Univ., NJ (United States); Institute for Advanced Study, Princeton, NJ (United States)
Publication Date:
Research Org.:
Princeton Univ., NJ (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1801538
Grant/Contract Number:  
SC0002140
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B
Additional Journal Information:
Journal Volume: 101; Journal Issue: 3; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Materials Science; Physics

Citation Formats

Durst, Adam C., Yang-Mejia, Genesis, and Bhatt, R. N. Quadrupolar interactions between acceptor pairs in $\mathcal{p}$-doped semiconductors. United States: N. p., 2020. Web. doi:10.1103/physrevb.101.035202.
Durst, Adam C., Yang-Mejia, Genesis, & Bhatt, R. N. Quadrupolar interactions between acceptor pairs in $\mathcal{p}$-doped semiconductors. United States. https://doi.org/10.1103/physrevb.101.035202
Durst, Adam C., Yang-Mejia, Genesis, and Bhatt, R. N. Wed . "Quadrupolar interactions between acceptor pairs in $\mathcal{p}$-doped semiconductors". United States. https://doi.org/10.1103/physrevb.101.035202. https://www.osti.gov/servlets/purl/1801538.
@article{osti_1801538,
title = {Quadrupolar interactions between acceptor pairs in $\mathcal{p}$-doped semiconductors},
author = {Durst, Adam C. and Yang-Mejia, Genesis and Bhatt, R. N.},
abstractNote = {Here, we consider the interaction between acceptor pairs in doped semiconductors in the limit of large interacceptor separation relevant for low doping densities. Modeling individual acceptors via the spherical model of Baldereschi and Lipari, we calculate matrix elements of the quadrupole tensor between the four degenerate ground states and show that the acceptor has a nonzero quadrupole moment. As a result, the dominant contribution to the large-separation acceptor-acceptor interaction comes from direct (charge-density) terms rather than exchange terms. The quadrupole is the leading nonzero moment, so the electric quadrupole-quadrupole interaction dominates for large separation. We calculate the matrix elements of the quadrupole-quadrupole interaction Hamiltonian in a product-state basis and diagonalize, obtaining a closed-form expression for the energies and degeneracies of the sixteen-state energy spectrum. All dependence on material parameters enters via an overall prefactor, resulting in surprisingly simple and universal results. This simplicity is due, in part, to a mathematical happenstance, the nontrivial vanishing of a particular Wigner 6-$\mathcal{j}$ symbol, $^\{\frac{^2_3}{\small2} \frac{^2_3}{\small2} \frac{^2_3}{\small2}$$^\}$ = 0. Results are relevant to the control of two-qubit interactions in quantum computing implementations based on acceptor spins, as well as calculations of the thermodynamic properties of insulating $\mathcal{p}$-type semiconductors.},
doi = {10.1103/physrevb.101.035202},
journal = {Physical Review. B},
number = 3,
volume = 101,
place = {United States},
year = {Wed Jan 22 00:00:00 EST 2020},
month = {Wed Jan 22 00:00:00 EST 2020}
}

Works referenced in this record:

Modern Quantum Mechanics
book, January 2017


A silicon-based nuclear spin quantum computer
journal, May 1998


On-chip cavity quantum phonodynamics with an acceptor qubit in silicon
journal, August 2013


Einige Folgerungen aus der Schr�dingerschen Theorie f�r die Termstrukturen
journal, September 1927


Modern Quantum Mechanics
journal, July 1986

  • Sakurai, J. J.; Liboff, Richard L.
  • American Journal of Physics, Vol. 54, Issue 7
  • DOI: 10.1119/1.14491

Einige Folgerungen aus der Schr�dingerschen Theorie f�r die Termstrukturen
journal, July 1927


Quantum simulation of the Hubbard model with dopant atoms in silicon
journal, April 2016

  • Salfi, J.; Mol, J. A.; Rahman, R.
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms11342

Nontrivial zeros of the Wigner (3‐ j ) and Racah (6‐ j ) coefficients. I. Linear solutions
journal, March 1985

  • Brudno, Simcha
  • Journal of Mathematical Physics, Vol. 26, Issue 3
  • DOI: 10.1063/1.526628

Solutions of Diophantine equations and degree-one polynomial zeros of Racah coefficients
journal, May 1988

  • Roa, K. Srinivasa; Rajeswari, V.; King, R. C.
  • Journal of Physics A: Mathematical and General, Vol. 21, Issue 9
  • DOI: 10.1088/0305-4470/21/9/012

On the Representations of the Rotation Group
journal, October 1962


Theory of shallow acceptor states in Si and Ge
journal, March 1962


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
  • DOI: 10.1038/nature09392

A complete determination of the zeros of weight‐1 6 j coefficients
journal, November 1986

  • Bremner, Andrew; Brudno, Simcha
  • Journal of Mathematical Physics, Vol. 27, Issue 11
  • DOI: 10.1063/1.527279

Nontrivial zeros of the Wigner (3 j  ) and Racah (6 j  ) coefficients. II. Some nonlinear solutions
journal, January 1987

  • Brudno, Simcha
  • Journal of Mathematical Physics, Vol. 28, Issue 1
  • DOI: 10.1063/1.527792

Readout and control of the spin-orbit states of two coupled acceptor atoms in a silicon transistor
journal, December 2018

  • van der Heijden, Joost; Kobayashi, Takashi; House, Matthew G.
  • Science Advances, Vol. 4, Issue 12
  • DOI: 10.1126/sciadv.aat9199

A scaling method for low temperature behavior of random antiferromagnetic systems (invited)
journal, March 1981

  • Bhatt, R. N.; Lee, P. A.
  • Journal of Applied Physics, Vol. 52, Issue 3
  • DOI: 10.1063/1.329684

On the representations of the rotation group
journal, March 1972


Quantum Theory of Cyclotron Resonance in Semiconductors: General Theory
journal, May 1956


Electron spin coherence exceeding seconds in high-purity silicon
journal, December 2011

  • Tyryshkin, Alexei M.; Tojo, Shinichi; Morton, John J. L.
  • Nature Materials, Vol. 11, Issue 2
  • DOI: 10.1038/nmat3182

Interface effects on acceptor qubits in silicon and germanium
journal, November 2015


Angular Momentum in Quantum Mechanics
journal, April 1958

  • Edmonds, A. R.; Mendlowitz, H.
  • Physics Today, Vol. 11, Issue 4
  • DOI: 10.1063/1.3062519

Exchange coupling between silicon donors: The crucial role of the central cell and mass anisotropy
journal, June 2014


Spherical Model of Shallow Acceptor States in Semiconductors
journal, September 1973


Spin qubit manipulation of acceptor bound states in group IV quantum wells
journal, April 2017


Random antiferromagnetic quantum spin chains
journal, August 1994


Nontrivial zeros of the Racah quadrupole invariant
journal, June 1985

  • Brudno, Simcha; Louck, James D.
  • Journal of Mathematical Physics, Vol. 26, Issue 6
  • DOI: 10.1063/1.526511

Nontrivial zeros of weight 1 3 j and 6 j coefficients: Relation to Diophantine equations of equal sums of like powers
journal, September 1985

  • Brudno, Simcha; Louck, James D.
  • Journal of Mathematical Physics, Vol. 26, Issue 9
  • DOI: 10.1063/1.526832

Charge-Insensitive Single-Atom Spin-Orbit Qubit in Silicon
journal, June 2016


Silicon quantum electronics
journal, July 2013

  • Zwanenburg, Floris A.; Dzurak, Andrew S.; Morello, Andrea
  • Reviews of Modern Physics, Vol. 85, Issue 3
  • DOI: 10.1103/RevModPhys.85.961

On the zeros of 6-j coefficients
journal, May 1994


Heitler-London model for acceptor-acceptor interactions in doped semiconductors
journal, October 2017


Electrical control of a long-lived spin qubit in a Si/SiGe quantum dot
journal, August 2014


The Application of Group theory to the Quantum Dynamics of Monatomic Systems
journal, July 1930


Quantum gates with donors in germanium
journal, November 2016


Surface code architecture for donors and dots in silicon with imprecise and nonuniform qubit couplings
journal, January 2016


Decoherence of electron spin qubits in Si-based quantum computers
journal, July 2002


Angular momentum in quantum mechanics
journal, February 1958


Scaling behavior of the magnetization of Si:B
journal, November 1986


Probing the Spin States of a Single Acceptor Atom
journal, February 2014

  • van der Heijden, Joost; Salfi, Joe; Mol, Jan A.
  • Nano Letters, Vol. 14, Issue 3
  • DOI: 10.1021/nl4047015

Room-Temperature Quantum Bit Storage Exceeding 39 Minutes Using Ionized Donors in Silicon-28
journal, November 2013


Simmetry properties of Racah’s coefficients
journal, January 1959


High fidelity resonant gating of a silicon based quantum dot hybrid qubit
text, January 2015


High-fidelity resonant gating of a silicon-based quantum dot hybrid qubit
journal, October 2015

  • Kim, Dohun; Ward, Daniel R.; Simmons, Christie B.
  • npj Quantum Information, Vol. 1, Issue 1
  • DOI: 10.1038/npjqi.2015.4

Strong coupling of a single electron in silicon to a microwave photon
journal, December 2016


On the polynomial zeros of the Clebsch-Gordan and Racah coefficients
journal, April 1984

  • Rao, K. Srinivasa; Rajeswari, V.
  • Journal of Physics A: Mathematical and General, Vol. 17, Issue 5
  • DOI: 10.1088/0305-4470/17/5/004

Low-temperature properties of the random Heisenberg antiferromagnetic chain
journal, August 1980


Hyperfine Stark effect of shallow donors in silicon
journal, November 2014


On the representation of the electric charge distribution in ethane for calculations of the molecular quadrupole moment and intermolecular electrostatic energy
journal, July 1985

  • Hansen, F. Y.; Alldredge, G. P.; Bruch, L. W.
  • The Journal of Chemical Physics, Vol. 83, Issue 1
  • DOI: 10.1063/1.449776

Wave functions and energies of shallow acceptor states in germanium
journal, July 1964


Theory of optical absorption in expanded fluid mercury
journal, July 1979


Cubic contributions to the spherical model of shallow acceptor states
journal, February 1974


Scaling Studies of Highly Disordered Spin-½ Antiferromagnetic Systems
journal, February 1982


Room-Temperature Quantum Bit Storage Exceeding 39 Minutes Using Ionized Donors in Silicon-28
journal, November 2013