Bragg’s Law

&
X-ray Ray Diffraction

Lecture=06
 X-Ray Diffraction

• Diffraction gratings must have spacings comparable to the

wavelength of diffracted radiation.
• Can’t resolve spacings  
• Spacing is the distance between parallel planes of atoms.
2
 How X-rays produce in a Tube ?
• Information about crystal structure are obtained using X-
Rays.
• The X-rays used are about the same wavelength (0.05-0.25
nm) as distance between crystal lattice planes.

35 KV

(e.g:Molybdenum)
Figure 3.25

After B.D. Cullity, “Elements of X-Ray Diffraction, “ 2d ed., Addison-Wesley, 1978, p.23.
X-Ray Spectrum of Molybdenum (Mo)
• X-Ray spectrum of Molybdenum is
obtained when Molybdenum is
used as target metal.
• Kα and Kβ are characteristic of
an element.
• For Molybdenum Kα occurs at
wave length of about 0.07nm.
• Electrons of n=1 shell of target
metal are knocked out by
bombarding electrons.
• Electrons of higher level drop
down by releasing energy to
replace lost electrons
Figure 3.26
 X-Ray Diffraction

• Crystal planes of target metal act as mirrors reflecting X-ray

beam.
• If rays leaving a set of planes
are out of phase (as in case of
arbitrary angle of incidence)
no reinforced beam is
produced.

• If rays leaving are in phase,

reinforced beams are
produced.

Figure 3.28
After A.G. Guy and J.J. Hren, “Elements of Physical Metallurgy,” 3d ed., Addison-Wesley, 1974, p.201.)
 X-Ray Diffraction (Cont..)
• For rays reflected from different planes to be in phase, the
extra distance traveled by a ray should be a integral multiple
of wave length λ .
nλ = MP + PN (n = 1,2…)

n is order of diffraction

If dhkl is interplanar distance,

Then MP = PN = dhkl.Sinθ

Therefore, λ = 2 dhkl.Sinθ
Figure 3.28

After A.G. Guy and J.J. Hren, “Elements of Physical Metallurgy,” 3d ed., Addison-Wesley, 1974, p.201.)
 Interpreting Diffraction Data
a
d hkl

h2  k 2  l 2
• We know that
Since   2dSin

2aSin
Substituting for d, 
h2  k 2  l 2

2 h 2  k 2  l 2
Therefore Sin 2 
4a 2

Note that the wavelength λ and lattice constant a are the same
For both incoming and outgoing radiation.
 Interpreting Diffraction Data (Cont..)
• For planes ‘A’ and ‘B’ we get two equations
2 ( h A 2  k A 2  l A 2 )
Sin 2 A  (For plane ‘A’)
4a 2

2 ( h B 2  k B 2  l B 2 )
Sin 2 B  (For plane ‘B’)
4a 2

Dividing each other, we get

Sin 2 A (hA  k A  l A )
2 2 2


Sin 2 B (hB  k B  l B )
2 2 2
 X-Ray Diffraction Analysis
• Powdered specimen is used for X-ray diffraction analysis as the
random orientation facilitates different angle of incidence.
• Radiation counter detects angle and intensity of diffracted
beam.

Figure 3.30
After A.G. Guy “Essentials of Materials Science,” McGraw-Hill, 1976.
 Diffraction Condition for Cubic Cells
• For BCC structure, diffraction occurs only on planes whose
miller indices when added together total to an even number.
i.e. (h+k+l) = even Reflections present
(h+k+l) = odd Reflections absent

• For FCC structure, diffraction occurs only on planes whose

miller indices are either all even or all odd.
i.e. (h,k,l) all even Reflections present
(h,k,l) all odd Reflections present
(h,k,l) not all even or all odd Reflections absent.

3-41
 Interpreting Experimental Data
• For BCC crystals, the first two sets of diffracting planes are
{110} and {200} planes.
Sin 2 A (12  12  0 2 )
  0.5
Therefore
Sin 2 B ( 2 2  0 2  0 2 )

• For FCC crystals the first two sets of diffracting planes are
{111} and {200} planes
Sin 2 A (12  12  12 )
Therefore   0.75
Sin 2 B (2 2  02  02 )

3-42
 Crystal Structure of Unknown Metal
Unknown
metal

Crystallographic
Analysis

Sin 2 A Sin 2 A
 0.75  0 .5
Sin  B
2
Sin 2 B

FCC BCC
Crystal Crystal
Structure Structure

3-43
 Amorphous Materials
• Random spatial positions of atoms
• Polymers: Secondary bonds do not allow formation
of parallel and tightly packed chains during
solidification.
 Polymers can be semicrystalline.
• Glass is a ceramic made up of SiO4 4- tetrahedron
subunits – limited mobility.
• Rapid cooling of metals (10 8 K/s) can give rise to
amorphous structure (metallic glass).
• Metallic glass has superior metallic properties.
 X-Rays to Determine Crystal Structure
• Incoming X-rays diffract from crystal planes.

reflections must
be in phase for
a detectable signal
extra  Adapted from Fig. 3.20,
 
distance
Callister & Rethwisch 8e.
travelled
by wave “2” spacing
d between
planes

Measurement of critical X-ray

n
angle, c, allows intensity d
(from 2 sin c
computation of planar
detector)
spacing, d.

c
37
 z
X-Ray Diffraction
z
Patternz
c c c

y (110) y y
a b a b a b
Intensity (relative)

x x x
(211)

(200)

Diffraction angle 2
Diffraction pattern for polycrystalline a-iron (BCC)
Adapted from Fig. 3.22, Callister 8e.

38