Lecture20-XRD-IndexingOfXRDPatterns

Lecture20-XRD-IndexingOfXRDPatterns - EMSE 312 Diffraction...

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Unformatted text preview: EMSE 312 Diffraction Principles Lecture 20 Powder X-ray Diffraction (XRD) Techniques Analysis of XRD Spectra: Indexing of XRD Patterns [Indexing of ED Patterns] Effects of Strain [stress] Effects of Dislocations and Point Defects EMSE 312 DIFFRACTION PRINCIPLES EMSE 312 Diffraction Principles Diffraction Techniques - XRD ZnS (zinc-blende): Theoretical Intensities Reasonable fit!!! Possible errors??? TEXTURE? a 5.4060 = 1.54 = hkl 2d sin = ( ) 2 g U C F I m LP I V (hkl) 2 ( ) S f ( ) Zn f 2 g UC F V 3 UC V 157.99 = m 8 6 12 24 8 6 ( ) LP 31.85 23.62 11.28 7.90 7.15 5.06 I/ I 69.37 8.30 47.59 28.89 1.80 6.44 Norm I 100 12.0 68.6 41.6 2.6 9.3 JCPDF 5 566 100 10 51 30 2 6 Covalent vs. Ionic Bonding S=16; Zn=30 vs. S 2- =18; Zn 2+ =28 ( ) 111 28.6 8.94 18.57 ( ) 200 33.1 8.89 18.45 ( ) 220 47.5 7.77 15.65 ( ) 311 56.4 6.82 13.83 ( ) 222 59.1 6.80 13.80 ( ) 400 69.5 5.99 12.19 0.272 0.059 0.352 0.152 0.031 0.212 EMSE 312 Diffraction Principles Diffraction Techniques - XRD ZnS (zinc-blende): Theoretical Intensities a 5.4060 = 1.54 = hkl 2d sin = ( ) 2 g U C F I m LP I V (hkl) 2 ( ) S f ( ) Zn f 2 g UC F V 3 UC V 157.99 = m 8 6 12 24 8 6 ( ) LP 31.85 23.62 11.28 7.90 7.15 5.06 I/ I 65.5 4.73 47.30 27.39 1.00 6.39 Norm I 100 7.2 72.1 41.8 1.5 9.7 JCPDF 5 566 100 10 51 30 2 6 Using S 2- =18 and Zn 2+ =28 ( ) 111 28.6 10.06 17.33 ( ) 200 33.1 10.00 17.22 ( ) 220 47.5 8.74 14.61 ( ) 311 56.4 7.67 12.91 ( ) 222 59.1 7.65 12.88 ( ) 400 69.5 6.74 11.38 0.257 0.033 0.349 0.144 0.018 0.210 EMSE 312 Diffraction Principles Diffraction Techniques - XRD XRD Diffractogram Analysis Peak Positions d-spacings [Unit Cell and Lattice Parameters] Peak Intensities Unit Cell Structurefactor [Chemistry]...
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This note was uploaded on 12/01/2011 for the course EMSE 312 taught by Professor Lagerlof,p during the Spring '08 term at Case Western.

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Lecture20-XRD-IndexingOfXRDPatterns - EMSE 312 Diffraction...

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