Electron Spin Resonance of Phosphorus in n-Type Diamond

Graf, T.; Brandt, M. S.; Nebel, Christoph E.; Stutzmann, M.; Koizumi, Satoshi

doi:10.1002/1521-396x(200210)193:3<434::aid-pssa434>3.0.co;2-p

Cited by 8 publications

(3 citation statements)

References 19 publications

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“…Previously, we calculated the electronic structure and stable structure of P-doped diamond by the ab initio plane wave method and indicated that the site symmetry of phosphorus is C 3v . 1,2) Other calculations [3][4][5][6] and an experiment 7) show the same results as ours. Recently, however, Isoya et al reported that the site symmetry of phosphorus is D 2d , on the basis of a pulsed EPR study.…”

Section: Introductionsupporting

confidence: 84%

Ab Initio Study for Site Symmetry of Phosphorus-Doped Diamond

Orita¹,

Nishimatsu²,

Katayama‐Yoshida³

2007

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Previously, we performed local density approximation (LDA) based ab initio calculations for phosphorus-doped diamond and identified that the site symmetry of phosphorus is C3v [Jpn. J. Appl. Phys. 41 (2002) 1952]. Recently, however, Isoya et al. reported that the site symmetry is D2d, as found in their electron paramagnetic resonance (EPR) experiment [Physica B 376–377 (2006) 358]. We carried out recalculations to explain their result. In our new calculations, we took account of the shape optimization of the supercell and obtained the D2d symmetry at the phosphorus site in diamond.

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Section: Introductionsupporting

confidence: 84%

Ab Initio Study for Site Symmetry of Phosphorus-Doped Diamond

Orita¹,

Nishimatsu²,

Katayama‐Yoshida³

2007

jjap

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“…In implanted and annealed material, an isotropic EPR centre was detected at 20 K that correlates with infrared (IR) electronic transitions at 4220 and 4535 cm −1 associated with the P donor [15]. Another centre detected electrically may also be related to P [16]. This system has C 3v symmetry at 120 K. However, the signal has only around 2% spin density on P, and may be due to a P-X complex.…”

Section: Introductionmentioning

confidence: 95%

“…Electron paramagnetic resonance (EPR) experiments that determine the symmetry of systems with unpaired electrons have detected P-related centres via hyperfine interactions with the 31 P nuclei [13][14][15][16][17]. In implanted and annealed material, an isotropic EPR centre was detected at 20 K that correlates with infrared (IR) electronic transitions at 4220 and 4535 cm −1 associated with the P donor [15].…”

Section: Introductionmentioning

confidence: 99%

Theory of Jahn–Teller distortions of the P donor in diamond

Eyre

Goss

Briddon

et al. 2005

J. Phys.: Condens. Matter

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Phosphorus, the current standard n-type dopant in diamond, has been correlated with isotropic, trigonal and tetragonal paramagnetic centres, suggesting that it may undergo a symmetry lowering distortion, perhaps of a Jahn–Teller type. We present first-principles calculations for examining the energetics of various sub-group symmetries of the on-site, tetrahedral donor, and show that C2v, C3v and D2d conformations reduce the total energy and conform to the Jahn–Teller theorem. We also present a qualitative explanation of the resulting quantum-mechanical states. The small amount of energy saved by the distortion may indicate a dynamic Jahn–Teller effect.

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Electron paramagnetic resonance study of phosphorus‐doped n‐type homoepitaxial diamond films grown by chemical vapor deposition

Katagiri

Isoya

Koizumi

et al. 2006

Physica Status Solidi (a)

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Electron paramagnetic resonance technique has been applied to identify the microscopic origin of the n‐type conductivity in phosphorus‐doped {111}‐homoepitaxial diamond films grown by chemical vapor deposition. The NIMS‐1 center having the D 2d symmetry with g || = 1.9983, g ^ = 2.0072 and the 31P hyperfine interaction of A || = 5.77 mT, A ⊥ = 1.21 mT at 30 K is identified to be arising from the phosphorus donors based on the number of spins which matches to the number of the electrically active phosphorus atoms in the films. The wave function of the unpaired electron is localized by 12% on the phosphorus atom with a predominant p‐character. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)

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Electron Spin Resonance of Phosphorus in n-Type Diamond

Cited by 8 publications

References 19 publications

Ab Initio Study for Site Symmetry of Phosphorus-Doped Diamond

Ab Initio Study for Site Symmetry of Phosphorus-Doped Diamond

Theory of Jahn–Teller distortions of the P donor in diamond

Electron paramagnetic resonance study of phosphorus‐doped n‐type homoepitaxial diamond films grown by chemical vapor deposition

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