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XRDRaman spectroscopy
Conclusions
XRD and Raman spectroscopyF8900 Študentský seminár
Peter [email protected]
Department of Physical ElectronicsFaculty of ScienceMasaryk University
May 4th, 2011
Peter Zelina XRD and Raman spectroscopy
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XRDRaman spectroscopy
Conclusions
Outline
1 XRDIntroductionPrinciple
2 Raman spectroscopyTheoryPrinciple
3 Conclusions
Peter Zelina XRD and Raman spectroscopy
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XRDRaman spectroscopy
ConclusionsIntroductionPrinciple
What is XRD?
X-Ray Diffraction = X-rays diffracted on lattice of the matterconstructive interference (Braggs condition):
2d sin θ = nλ2 a√
h2+k2+l2 sin θ = λ
When do I use XRD?qualitative and quantitative analysis of crystalline sampledistinguish between mixture and compoundsize of particles (powder XRD, size < 100 nm)
Peter Zelina XRD and Raman spectroscopy
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XRDRaman spectroscopy
ConclusionsIntroductionPrinciple
How mathematics works...
F (~Q) =∑
sfs(Q)
structure factor︷ ︸︸ ︷exp(−i ~Q ·~rs) (1)
~rs direct lattice vector, ~Q reciprocal lattice vector ⇒ condition forMiller indeces h, k, l ⇒ angle of incidence θ
α-Fe Fe3O4hkl 2θ[◦] hkl 2θ[◦]
110 52 111 21200 77 220 35211 100 311 41220 124 400 50310 161 511 67
440 74
LP#14a - α-Fe/Fe3O4: 44:56; 10 nm, 4 nm
Scherer formula:
τ =Kλ
β cos θ
β = FWHMK - shape factor
Peter Zelina XRD and Raman spectroscopy
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XRDRaman spectroscopy
ConclusionsIntroductionPrinciple
...and physics
source of X-rays: synchrotron, bremsstrahlung(Mo, Cu, Co, Fe, Cr)λ ≈ 0.06 nm (Mo) – 0.23 nm (Cr)
detector: CCD, photopaper
MoO3 nanowires, www.nanotul.com
Peter Zelina XRD and Raman spectroscopy
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XRDRaman spectroscopy
ConclusionsTheoryPrinciple
Raman spectroscopy - Basic theory
inelastic scattering of monochromatic lightexcitations to virtual energy statessource: laser (λ0) - near UV – near IR
∆ω = (1λ0− 1λ
) (2)
When do I need Ramanspectroscopy?
info about spectra of molecules,chemical bondssolids, liquids, samples in water,glassNON-destructive, quick,no preparations needed
Peter Zelina XRD and Raman spectroscopy
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XRDRaman spectroscopy
ConclusionsTheoryPrinciple
Principle
light irradiates the samplescattered light is detectedwavelengths λ ≈ λ0 are filtered
Applicationsdrugs, explosives detectionlow energy phononscomplement to IR spectroscopy
Peter Zelina XRD and Raman spectroscopy
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XRDRaman spectroscopy
Conclusions
To sum upWe use...
XRD if...the sample is (poly)crystalline!qualitative, quantitative analysisnanopowder - size of particles
Raman spectroscopy if...info about rotational, vibrationalspectra, chemical bonds,phonon and magnon excitationscomplement to IR spectroscopy
Method is useless if...
the sample is NOT crystallinevery small objects (≈ λ)similar lattice parameters
laser changes structure of thesample, heats itthe sample is metal or alloy
Thank you for your attention!
Peter Zelina XRD and Raman spectroscopy
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XRDRaman spectroscopy
Conclusions
To sum upWe use...
XRD if...the sample is (poly)crystalline!qualitative, quantitative analysisnanopowder - size of particles
Raman spectroscopy if...info about rotational, vibrationalspectra, chemical bonds,phonon and magnon excitationscomplement to IR spectroscopy
Method is useless if...
the sample is NOT crystallinevery small objects (≈ λ)similar lattice parameters
laser changes structure of thesample, heats itthe sample is metal or alloy
Thank you for your attention!
Peter Zelina XRD and Raman spectroscopy