Outline
• What is X-ray Diffraction
• Bragg’s Law
• Basics of Crystallography
• XRD Pattern
• Applications of XRD
Definition
X-rays are electromagnetic radiation with very
short wavelength ( 10-8 -10-12 m)
The energy of the x-ray can be calculated with the
equation
E = h = hc/
For example : the x-ray photon with wavelength
1Å has energy 12.5 keV
What Is Diffraction?
A wave interacts with
A single particle
The particle scatters the
incident beam uniformly in
all directions.
A crystalline material
The scattered beam may add
together in a few directions
and reinforce each other to
give diffracted beams.
What is X-ray Diffraction?
The atomic planes of a crystal cause an incident beam of x-rays (if
wavelength is approximately the magnitude of the interatomic distance) to
interfere with one another as they leave the crystal. The phenomenon is
called x-ray diffraction.
~d
2B
atomic plane
X-ray of B I
d
Bragg’s Law and X-ray Diffraction
n = 2dsin() n-integer
X-ray1
X-ray2
=3Å
=30o Atomic
plane
d=3 Å
2-diffraction angle
Deriving Bragg’s Law - n = 2dsin
Constructive interference X-ray 2 X-ray 1
occurs only when
n = AB + BC
AB=BC
n = 2AB
Sin=AB/d
AB=dsin
n =2dsin
=2dhklsinhkl
n – integer, called the order of diffraction
Basics of Crystallography
(111)
c c
[111]
(110)
b b
a a [110]
(hkl)
Simple Cubic
I
2
Peak Position
Determine d-spacings and lattice parameters
2 a0 = dhkl (h2+k2+l2)½
a
a [010]
a y
[100]
1 atom 2 atoms 4 atoms
x 8 x 1/8 =1 8 x 1/8 + 1 = 2 8 x 1/8 + 6 x 1/2 = 4
Location: 0,0,0 0,0,0, ½, ½, ½, 0,0,0, ½, ½, 0,
½, 0, ½, 0, ½, ½,
Structures of Some Common Metals
[001] axis = 2dhklsinhkl
(001) plane
d010
Mo Cu
a
d001 (010)
(002) plane
1 1 1’ 1’
2 2 2’ 2’
001
002
/2 d002
3 3 3’
/4 3’
d001
002
001
XRD
Patterns of
Simple 2
Determine
1. Particle or
grain size
2. Residual
strain
Effect of Particle (Grain) Size
As rolled As rolled 300oC
t
200oC Grain
I size
K1 B
K2 (FWHM)
o
250 C Grain 450oC
size
300oC
0.9 Peak
B = t cos broadening
450oC
As grain size decreases
hardness increases and
2
(331) Peak of cold-rolled and
peak become broader
annealed 70Cu-30Zn brass
Effect of Lattice Strain on
Diffraction Peak Position and
Width
No Strain
Uniform Strain
(d1-do)/do
Peak moves, no shape changes
Non-uniform Strain
d1constant
Peak broadens
XRD patterns from
other states of matter
Crystal
Constructive interference Diffraction
Structural periodicity Sharp maxima
2
Liquid or amorphous solid
Lack of periodicity One or two
Short range order broad maxima
Monatomic gas
Atoms are arranged Scattering I
perfectly at random decreases with
Applications of XRD