X-Ray Diffraction
and
Bragg’s Law
Dr. Mehnaz Sharmin
Department of Physics
Bangladesh University of Engineering and Technology
Dhaka-1000, Bangladesh
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Structural Analysis of Solid
▪ Structure of solids is difficult to analyze by direct
measurements.
▪ Electron microscope with a high resolution can’t still show
clear image in atomic level.
▪ It is convenient to analyze crystal structure by observing
the optical phenomena such as reflection, scattering,
diffraction, etc. by the help of either high energy particles
or photons.
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TEM image of ZnO nanoparticles
Lee WH et al., “Round-robin test on thermal conductivity measurement of ZnO
nanofluids and comparison of experimental results with theoretical bounds”,
Nanoscale Res Lett (2011)
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Crystal Structure Studies
1. X-rays; photon energy ~ 50 keV, very short wavelength and
high penetration power.
2. Neutrons, energy ~ 0.08 eV, usually preferable for
magnetic crystals, because in the case of non-magnetic
materials it interacts only with the nuclei of the
constituent atoms
3. Electrons, energy ~ 100 eV, penetrates relatively short
distance in the crystal
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Properties of X-rays
• X-rays travel in straight lines.
• They cannot be deflected by electric or magnetic field.
• They have high penetration power due to short wavelength
ranging from 0.1 to 100 Å.
• They exhibit almost all optical phenomena like reflection,
refraction, diffraction, etc.
• They show effect in photographic plates (films).
• Fluorescent materials glow when X-rays are directed at them.
• Ionization of gas results when X-ray beam is passed through it.
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Advantages of X-ray Diffraction Technique
• It is very cost effective and convenient.
• It is very user friendly.
• In this technique no vacuum is required.
• X-rays are not much absorbed in air.
Disadvantages of X-ray Diffraction Technique
• X-rays do not interact very strongly with lighter
elements.
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X-ray diffraction and Bragg’s law
• OA and O′E: Incident rays
• AP and EP′: Reflected from the 1st
surface
• CP′′: Reflected from the 2nd surface
2θ
• θ: Angle at which OA and O′E are
θ
incident on the 1st surface
• EC=d= interplanar spacing θ
• O′EP′ and OAP are the same.
• OCP′′ is longer than the path O′EP′
by an amount, Δ= BCD = BC + CD
• Now, from the right angle triangles
EBC and EDC, we have Bragg’s law: nλ= 2d sinθ
BC=dsinθ=CD; So, Δ = 2d sinθ
W.L. Bragg in 1913.
• If two consecutive planes scattered in phase
Bragg’s condition
i.e. Δ = nλ
nλ
(sinθ)max=1, 2d ≤ 1
where λ= wavelength of X-rays and n = 1, 2, 3 ... =order
of reflection 7
Experimental X-ray diffraction Methods
To satisfy Bragg’s law, it is necessary to vary either the angle of
inclination of the specimen to the beam or the wavelength of the
radiation. The three standard methods of X-ray crystallography are-
a) Laue Method: A stationary single crystal is irradiated by a range
of X-ray wavelengths.
b) Rotating crystal Method: A single crystal specimen is rotated in
a beam of monochromatic X-rays.
c) Powder Method: A polycrystalline powder specimen is kept
stationary in a beam of monochromatic radiation.
Of these techniques, Laue method is used only for known crystal
orientation measurement.
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Laue Method
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Rotating Crystal Method
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Powder Method
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