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Density functional simulations of noble-gas impurities in diamond

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Density functional simulations of noble-gas impurities in diamond. / Goss, J. P.; Eyre, R. J.; Briddon, P. R.; Mainwood, Alison.

In: Physical Review B, Vol. 80, No. 8, 085204, 26.08.2009.

Research output: Contribution to journalArticle

Harvard

Goss, JP, Eyre, RJ, Briddon, PR & Mainwood, A 2009, 'Density functional simulations of noble-gas impurities in diamond', Physical Review B, vol. 80, no. 8, 085204.

APA

Goss, J. P., Eyre, R. J., Briddon, P. R., & Mainwood, A. (2009). Density functional simulations of noble-gas impurities in diamond. Physical Review B, 80(8), [085204].

Vancouver

Goss JP, Eyre RJ, Briddon PR, Mainwood A. Density functional simulations of noble-gas impurities in diamond. Physical Review B. 2009 Aug 26;80(8). 085204.

Author

Goss, J. P. ; Eyre, R. J. ; Briddon, P. R. ; Mainwood, Alison. / Density functional simulations of noble-gas impurities in diamond. In: Physical Review B. 2009 ; Vol. 80, No. 8.

Bibtex Download

@article{540c222f91de4b2da13f6b6702545d21,
title = "Density functional simulations of noble-gas impurities in diamond",
abstract = "Noble-gas species are important impurities in the geological analysis of natural diamond and are also used in ion implantation on the basis of chemical inertness. We present the results of density functional simulations of noble-gas atoms in diamond. We show that interstitial species are relatively mobile under geological conditions but require annealing above similar to 700 K for laboratory-based experiments. In addition, with the exception of interstitial helium and neon, the noble-gas atoms are able to react chemically with the diamond due to the compact diamond lattice. This is of particular significance in terms of ion implanted material where noble-gas species trapped in lattice vacancies are electrically active and stable to high temperatures.",
author = "Goss, {J. P.} and Eyre, {R. J.} and Briddon, {P. R.} and Alison Mainwood",
year = "2009",
month = "8",
day = "26",
language = "English",
volume = "80",
journal = "Physical Review B (Condensed Matter and Materials Physics)",
issn = "1098-0121",
publisher = "American Physical Society",
number = "8",

}

RIS (suitable for import to EndNote) Download

TY - JOUR

T1 - Density functional simulations of noble-gas impurities in diamond

AU - Goss, J. P.

AU - Eyre, R. J.

AU - Briddon, P. R.

AU - Mainwood, Alison

PY - 2009/8/26

Y1 - 2009/8/26

N2 - Noble-gas species are important impurities in the geological analysis of natural diamond and are also used in ion implantation on the basis of chemical inertness. We present the results of density functional simulations of noble-gas atoms in diamond. We show that interstitial species are relatively mobile under geological conditions but require annealing above similar to 700 K for laboratory-based experiments. In addition, with the exception of interstitial helium and neon, the noble-gas atoms are able to react chemically with the diamond due to the compact diamond lattice. This is of particular significance in terms of ion implanted material where noble-gas species trapped in lattice vacancies are electrically active and stable to high temperatures.

AB - Noble-gas species are important impurities in the geological analysis of natural diamond and are also used in ion implantation on the basis of chemical inertness. We present the results of density functional simulations of noble-gas atoms in diamond. We show that interstitial species are relatively mobile under geological conditions but require annealing above similar to 700 K for laboratory-based experiments. In addition, with the exception of interstitial helium and neon, the noble-gas atoms are able to react chemically with the diamond due to the compact diamond lattice. This is of particular significance in terms of ion implanted material where noble-gas species trapped in lattice vacancies are electrically active and stable to high temperatures.

M3 - Article

VL - 80

JO - Physical Review B (Condensed Matter and Materials Physics)

JF - Physical Review B (Condensed Matter and Materials Physics)

SN - 1098-0121

IS - 8

M1 - 085204

ER -

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