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  • PhysRevLett.95.105502

    Rights statement: © 2005 The American Physical Society

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Importance of quantum tunneling in vacancy-hydrogen complexes in diamond

Research output: Contribution to Journal/Magazine › Journal article › peer-review

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Importance of quantum tunneling in vacancy-hydrogen complexes in diamond. / Shaw, M. J.; Briddon, P. R.; Goss, J. P. et al.
In: Physical review letters, Vol. 95, No. 10, 105502, 02.09.2005.

Research output: Contribution to Journal/Magazine › Journal article › peer-review

Harvard

Shaw, MJ, Briddon, PR, Goss, JP, Rayson, MJ, Kerridge, A, Harker, AH & Stoneham, AM 2005, 'Importance of quantum tunneling in vacancy-hydrogen complexes in diamond', Physical review letters, vol. 95, no. 10, 105502. https://doi.org/10.1103/PhysRevLett.95.105502

APA

Shaw, M. J., Briddon, P. R., Goss, J. P., Rayson, M. J., Kerridge, A., Harker, A. H., & Stoneham, A. M. (2005). Importance of quantum tunneling in vacancy-hydrogen complexes in diamond. Physical review letters, 95(10), Article 105502. https://doi.org/10.1103/PhysRevLett.95.105502

Vancouver

Shaw MJ, Briddon PR, Goss JP, Rayson MJ, Kerridge A, Harker AH et al. Importance of quantum tunneling in vacancy-hydrogen complexes in diamond. Physical review letters. 2005 Sept 2;95(10):105502. doi: 10.1103/PhysRevLett.95.105502

Author

Shaw, M. J. ; Briddon, P. R. ; Goss, J. P. et al. / Importance of quantum tunneling in vacancy-hydrogen complexes in diamond. In: Physical review letters. 2005 ; Vol. 95, No. 10.

Bibtex

@article{8753eb35adb5409da1ea154bed78db86,
title = "Importance of quantum tunneling in vacancy-hydrogen complexes in diamond",
abstract = "Our ab initio calculations of the hyperfine parameters for negatively charged vacancy-hydrogen and nitrogen-vacancy-hydrogen complexes in diamond compare static defect models and models which account for the quantum tunneling behavior of hydrogen. The static models give rise to hyperfine splittings that are inconsistent with the experimental electron paramagnetic resonance data. In contrast, the hyperfine parameters for the quantum dynamical models are in agreement with the experimental observations. We show that the quantum motion of the proton is crucial to the prediction of symmetry and hyperfine constants for two simple defect centers in diamond. Static a priori methods fail for these systems.",
keywords = "ORBITALS, SILICON, MUONIUM, MOTION, ICE",
author = "Shaw, {M. J.} and Briddon, {P. R.} and Goss, {J. P.} and Rayson, {M. J.} and Andrew Kerridge and Harker, {A. H.} and Stoneham, {A. M.}",
note = "{\textcopyright} 2005 The American Physical Society",
year = "2005",
month = sep,
day = "2",
doi = "10.1103/PhysRevLett.95.105502",
language = "English",
volume = "95",
journal = "Physical review letters",
issn = "0031-9007",
publisher = "American Physical Society",
number = "10",

}

RIS

TY - JOUR

T1 - Importance of quantum tunneling in vacancy-hydrogen complexes in diamond

AU - Shaw, M. J.

AU - Briddon, P. R.

AU - Goss, J. P.

AU - Rayson, M. J.

AU - Kerridge, Andrew

AU - Harker, A. H.

AU - Stoneham, A. M.

N1 - © 2005 The American Physical Society

PY - 2005/9/2

Y1 - 2005/9/2

N2 - Our ab initio calculations of the hyperfine parameters for negatively charged vacancy-hydrogen and nitrogen-vacancy-hydrogen complexes in diamond compare static defect models and models which account for the quantum tunneling behavior of hydrogen. The static models give rise to hyperfine splittings that are inconsistent with the experimental electron paramagnetic resonance data. In contrast, the hyperfine parameters for the quantum dynamical models are in agreement with the experimental observations. We show that the quantum motion of the proton is crucial to the prediction of symmetry and hyperfine constants for two simple defect centers in diamond. Static a priori methods fail for these systems.

AB - Our ab initio calculations of the hyperfine parameters for negatively charged vacancy-hydrogen and nitrogen-vacancy-hydrogen complexes in diamond compare static defect models and models which account for the quantum tunneling behavior of hydrogen. The static models give rise to hyperfine splittings that are inconsistent with the experimental electron paramagnetic resonance data. In contrast, the hyperfine parameters for the quantum dynamical models are in agreement with the experimental observations. We show that the quantum motion of the proton is crucial to the prediction of symmetry and hyperfine constants for two simple defect centers in diamond. Static a priori methods fail for these systems.

KW - ORBITALS

KW - SILICON

KW - MUONIUM

KW - MOTION

KW - ICE

U2 - 10.1103/PhysRevLett.95.105502

DO - 10.1103/PhysRevLett.95.105502

M3 - Journal article

VL - 95

JO - Physical review letters

JF - Physical review letters

SN - 0031-9007

IS - 10

M1 - 105502

ER -