scholarly journals Peak-Fitting Analysis with Gaussian Line Shapes Against Experimental ESR Spectrum Consisting of Multiple Peak

2015 ◽  
Vol 50 (1) ◽  
pp. 13-19
Author(s):  
Masahiro Kikuchi ◽  
Natsuki Nagata ◽  
Seiichi Komoda ◽  
Hiromi Kameya ◽  
Mitsuko Ukai ◽  
...  
2002 ◽  
Vol 67 (4) ◽  
pp. 405-428 ◽  
Author(s):  
Jaromír Jakeš

A simple numerical method for calculating NMR spectral line shapes resulting from a Gaussian line by a partial narrowing due to a motion with the exponential spectral autocorrelation function of the form exp (-|τ|/τc) was developed. It was found that the partially narrowed line is narrower not only than the parent Gaussian line with the second moment of ωp2 but also than the Lorentzian line with the half-width of 2ωp2τc obtained from the extreme narrowing approximation. The central intensity increase compared with the closer of these two lines is less than 50.2%. Asymptotic developments for large values of ω - ω0 and for large values of ωpτc were derived. Two-term approximation applied to the extreme narrowing case led to a very simple modification of the Lorentzian line having the correct second moment ωp2. Analysis of this modified Lorentzian line showed that attempts to estimate ωp2 from truncated second moments of Lorentzian lines without knowledge of τc are hopeless. The case of the polyexponential spectral autocorrelation function with all but one correlation times fast enough to allow for the extreme narrowing, modelling the case of an anisotropic motion, is also considered.


2002 ◽  
Vol 715 ◽  
Author(s):  
T. Su ◽  
Robin Plachy ◽  
P. C. Taylor ◽  
S. Stone ◽  
G. Ganguly ◽  
...  

AbstractWe study the H NMR line shapes of a sample of a-Si:H under several conditions: 1) as grown, 2) light-soaked for 600 hours, and 3) light-soaked followed by annealing at different temperatures. At T = 7 K, the NMR line shape of the sample after light soaking exhibits an additional doublet compared to that of the sample as-grown. This doublet is an indication of a closely separated hydrogen pair. The distance between the two hydrogen atoms is estimated to be about (2.3 ± 0.2) Å. The concentration of these hydrogen sites is estimated to be between 1017 and 1018 cm-3 consistent with ESR measurements of the defect density after light soaking. This doublet disappears after the sample is annealed at 200°C for 4 hours.


2003 ◽  
Vol 68 (7) ◽  
pp. 1193-1205
Author(s):  
Jaromír Jakeš

The spin-echo experiment on a spin system with only partial motional narrowing and an exponential field autocorrelation function is considered. The pattern of the intensity decrease in the echo spectra depends on the ratio τ/τc of the time delay τ in the echo experiment to the correlation time τc of the narrowing motion. With the large ratios (fast motion), the decrease is the same as in the case of extreme narrowing; to obtain undistorted T2 values, the ratio should be at least several units in the single-echo experiment and at least few decades in the multiple-echo experiment. With the small ratios (slow motion), the logarithmic decrease depends non-linearly on τ, and the T2 value found by the linear least-squares adjustment is much longer than that obtained from the extreme narrowing approximation. At very small ratios, the multiple echo yields about 3τc/(ωpτ)2 for T2 as compared with 1/(ωp2rc) obtained from the extreme narrowing approximation; ωp2 is the second moment of the Gaussian line being narrowed. The expression for T2 in the multiple spin echo is similar to that previously found for T2e in the solid multiple spin echo. The echo experiment changes the line shape, which at large τ/τc approaches the Lorentzian one. The case of a multiexponential field autocorrelation function is also briefly considered.


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