| 41. |
- Goss, J. P., et al.
(författare)
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Theory of hydrogen in diamond
- 2002
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 65:11
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Tidskriftsartikel (refereegranskat)abstract
- Ab initio cluster and supercell methods are used to investigate the local geometry and optical properties of hydrogen defects in diamond. For an isolated impurity, the bond-centered site is found to be lowest in energy, and to possess both donor and acceptor levels. The neutral defect possesses a single local mode with a very small infrared effective charge, but the effective charge for the negative charge state is much larger. H+ is calculated to be very mobile with a low activation barrier. Hydrogen dimers are stable as H2* defects, which are also found to be almost IR inactive. The complex between B and H is investigated and the activation energy for the reaction B-H→B-+H+ found to be around 1.8 eV in agreement with experiment. We also investigate complexes of hydrogen with phosphorus and nitrogen. The binding energy of H with P is too low to lead to a significant codoping effect. A hydrogen-related vibrational mode of the N-H defect, and its isotopic shifts, are close to the commonly observed 3107-cm-1 line, and we tentatively assign this center to the defect. Hydrogen is strongly bound to dislocations which, together with H2*, may form part of the hydrogen accumulation layer detected in some plasma studies.
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| 42. |
- Goss, J.P., et al.
(författare)
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Vibrational modes and electronic properties of nitrogen defects in silicon
- 2003
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Ingår i: Physical Review B. Condensed Matter and Materials Physics. - 1098-0121 .- 1550-235X. ; 67:4, s. 45206-1
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Tidskriftsartikel (refereegranskat)abstract
- Nitrogen impurities form complexes with native defects such as vacancies and self-interstitials in silicon which are stable to high temperatures. These complexes can then suppress the formation of large vacancy and self-interstitial clusters. However, there is little known about their properties. We use first-principles density-functional theory to the determine the local vibrational modes, electrical levels and stability of a range of nitrogen-interstitial and vacancy complexes. Tentative assignments of the ABC photoluminescence line and the trigonal SL6 EPR center are made to substitutional-nitrogen pair and the substitutional-nitrogen-vacancy complex.
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| 43. |
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| 44. |
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| 45. |
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| 46. |
- Hourahine, B., et al.
(författare)
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Evidence for H2* trapped by carbon impurities in silicon
- 2001
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Ingår i: Physica. B, Condensed matter. - 0921-4526 .- 1873-2135. ; 308, s. 197-201
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Tidskriftsartikel (refereegranskat)abstract
- Local mode spectroscopy and ab initio modelling are used to investigate two trigonal defects found in carbon-rich Si into which H had been in-diffused. Isotopic shifts with D and 13C are reported along with the effect of uniaxial stress. Ab initio modelling studies suggest that the two defects are two forms of the CH2* complex where one of the two hydrogen atoms lies at an anti-bonding site attached to C or Si, respectively. The two structures are nearly degenerate and possess vibrational modes in good agreement with those observed.
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| 47. |
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| 48. |
- Jones, R., et al.
(författare)
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Structure and electronic properties of nitrogen defects in silicon
- 2004
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Ingår i: Gettering and Defect Engineering in Semiconductor Technology GADEST 2003. - : Trans Tech Publications Inc.. ; , s. 93-98
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Konferensbidrag (refereegranskat)abstract
- Nitrogen-vacancy defects in Si are of interest due to their ability to suppress the formation of large vacancy cluster during growth but there are problems in their characterisation. We use local density functional theory to determine the local vibrational modes, electrical levels and stability of a number of nitrogen defects. A prominent nitrogen local vibrational mode at 663 cm-1 is attributed to a nitrogen-vacancy centre and tentative assignments of the ABC photoluminescence line and the trigonal SL6 BPR centre are made.
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| 49. |
- Klockhoff, H, et al.
(författare)
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Faster absorption of ethanol and higher peak concentration in women after gastric bypass surgery
- 2002
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Ingår i: British Journal of Clinical Pharmacology. - : Wiley. - 0306-5251 .- 1365-2125. ; 54:6, s. 587-591
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Tidskriftsartikel (refereegranskat)abstract
- Aims: To investigate the absorption, distribution and elimination of ethanol in women with abnormal gut as a result of gastric bypass surgery. Patients who undergo gastric bypass for morbid obesity complain of increased sensitivity to the effects of alcohol after the operation. Methods: Twelve healthy women operated for morbid obesity at least 3 years earlier were recruited. Twelve other women closely matched in terms of age and body mass index (BMI) served as the control group. After an overnight fast each subject drank 95% v/v ethanol (0.30 g kg-1 body weight) as a bolus dose. The ethanol was diluted with orange juice to 20% v/v and finished in 5 min. Specimens of venous blood were taken from an indwelling catheter before drinking started and every 10 min for up to 3.5 h post-dosing. The blood alcohol concentration (BAC) was determined by headspace gas chromatography. Results: The maximum blood-ethanol concentration (Cmax) was 0.741 ▒ 0.211 g l-1 (▒ s.d.) in the operated group compared with 0.577 ▒ 0.112 g l-1 in the controls (mean difference 0.164 g l-1, 95% confidence interval (CI) 0.021, 0.307). The median time to peak (tmax) was 10 min in the bypass patients compared with 30 min in controls (median difference -15 min (95% CI -10, -20 min). At 10 and 20 min post-dosing the BAC was higher in the bypass patients (P < 0.05) but not at 30 min and all later times (P > 0.05). Other pharmacokinetic parameters of ethanol were not significantly different between the two groups of women (P > 0.05). Conclusions: The higher sensitivity to ethanol after gastric bypass surgery probably reflects the more rapid absorption of ethanol leading to higher Cmax and earlier tmax. The marked reduction in body weight after the operation might also be a factor to consider if the same absolute quantity of ethanol is consumed.
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