Lecture 9

X-ray Diffraction

31 August 2022

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This really helps in crystal structure studies – Bragg’s Law!

• For diffraction to occur, rays 1’ and 2’ should be in

phase.
Ray 1’
Ray 1
• Path Difference = BC+CD =
• This should be an integral multiple of . Ray 2’

• Ray 2
n is an integer, called the order of reflection. A

𝜃 𝜃
Using concepts linking order of reflection to the 𝑑 D
B
interplanar spacings of parallel planes,
for most of our work, n can be taken to be 1. C
Hence the following equation can be used.

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“Real” materials and crystal orientation

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“Real” materials and crystal orientation
• What is a polycrystalline material? ℎ 𝑘 𝑙 ℎ 𝑘 𝑙 ℎ 𝑘 𝑙
• Consists of many grains, randomly
oriented.
• Some of them will have certain
crystallographic planes parallel to the
surface.
• Each plane will diffract at its own angle
( ) once Bragg’s law is satisfied.
• This is the basis of the angular scans
used in X-ray diffraction studies.

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How is X-ray diffraction performed?
-2 scan
• The sample is made to tilt through an
angle , with a simultaneous tilt of 2 in
the detector. So that the geometry on the
right is always maintained.
• Thus, the incident and diffracted beam (if S: Specimen
any!) always make an angle with the
specimen surface. X-ray source
• A range of values is now scanned
for possible reflections from
favourably oriented planes.
• Readings of X-ray intensity at C, are C: Detector
taken as a function of different values.

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 An example of XRD data (Pb sample)

The angle of diffraction ( ) tells us the d spacing

But how do we know which (hkl) planes are diffracting?

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Rules of Diffraction

• It is found that not all combinations of (hkl) indices give a

diffracted beam.
• Whether a diffracted beam exists depends on the exact
arrangement of atoms inside a crystal.
• Thus, there are certain “rules of diffraction”, depending on the
crystal structure.