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B 2 W V tan U tan 2
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Creating a template
After you create the instrument LP Analysis Standard
Go to the Peak List tab in the Lists Pane
Right-click in the Peak List and select the menu option Delete >
Included Peaks
Go to the Refinement Control tab in the Lists Pane
Expand the entries Global Variables and Background
In every parameter within Background (Flat Background, Coefficient
1, etc), set the value to 0
Go to the Pattern List in the Lists Pane
Delete all reference patterns loaded in the Pattern List
If you are always analyzing the same phase(s), you could load the
reference patterns for those phases and save them in the template
Go to the Scan List in the Lists Pane
Delete all experimental scans loaded in the Scan List
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Ceria nanocrystalline
3600
1600
400
0
25
FWHM Left [2Th.]
1.45
30
35
Position [2Theta] (Copper (Cu))
1.16
0.87
0.58
0.29
0.00
40
In the Peak List in the lists pane, rightclick on the line for the peak
From the context sensitive menu, select Set
Peak(s) > Excluded
Ceria nanocrystalline
The advantage to
excluding peaks, rather
than deleting them, is
that they can be included
again if you need to use
them for additional
analyses (such as
repeating the profile
fitting)
3600
1600
400
0
25
FWHM Left [2Th.]
1.45
1.16
0.87
0.58
0.29
0.00
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30
Position [2Theta] (Copper (Cu))
35
The values Crystallite Size and Microstrain are calculated using a less
conventional shape deconvolution
The assumption is that all Crystallite Size broadening has as Lorentzian shape and that all
Microstrain broadening has a Gaussian shape
Therefore, it is assumed that
Struct Lorentz B quantifies the peak broadening due to crystallite size and can be
used in the Scherrer equation to determine the crystallite size
Struct Gauss B quantifies the peak broadening due to microstrain
This analysis might be valid if there is low dislocation density in the sample
Dislocations area type of Microstrain broadening that have a Lorentzian shape profile
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Williamson-Hall Plot
Struct. B * Cos(Theta)
1.8
1.6
1.4
1.2
1
0.8
0.6
0.4
0
0.05
Size []: 43(4)
Strain [%]: -0.2(2)
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0.1
0.15
0.2
0.25
0.3
0.35
0.4
Sin(Theta)
0.45
0.5
0.55
0.6
0.65
0.7
0.75
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Williamson-Hall Plot
2.2
2
Strain Only
1.8
Struct. B * Cos(Theta)
Struct. B * Cos(Theta)
1.6
2.1
2
1.9
1.8
1.7
1.6
1.5
1.4
1.3
1.2
1.1
1
0.9
0.8
0.7
0.6
0.5
0.4
0.3
1.4
1.2
1
0.8
0.6
0.4
0.2
0
0
0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 0.45 0.5 0.55 0.6 0.65 0.7 0.75 0.8
Sin(Theta)
0.05 0.1 0.15 0.2 0.25 0.3 0.35 0.4 0.45 0.5 0.55 0.6 0.65 0.7 0.75 0.8
Sin(Theta)
This does not necessarily mean that there is no crystallite size broadening, just that
it cannot be quantified because it is overwhelmed by the amount of microstrain
broadening
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