Name:Sajeel Khan

ROLL#:M.phil-SSP-03-F19
Class: M.phil SSP(Morning)
Subject: X-ray Diffraction
Submitted TO: Dr. Shahid Atiq Sb
 Factors Affecting the Intensity of
Diffracted Beam XRD
There are six important factors which are the following
Structure Factor
Multiplicity Factor
Absorption Factor
Polarization Factor
Lorentz Factor
Temperature Factor
 Structure Factor
 Wave scattered by all atoms of the unit cell is call structure factor, designated
by the symbol F
Structure factor is independent of the shape and size of the unit cell.
If a unit cell contains atoms 1, 2, 3, ..... N, with fractional coordinates u1 v1 w1,
u2 v2 w2, u3 v3 w3,….. then the structure factor for the hkl reflection is given by
F= ++……

F expresses both the amplitude and phase of the resultant wave. Intensity of the beam
diffracted by all atoms of the unit cell in a direction predicted by Bragg’s law is
proportional to ( the square of the amplitude of the resultant beam)

I
  == -1 , == 1
STRUCTURE-FACTOR CALCULATIONS
1) Simple Cubic has only one atom per unit cell having fractional coordinates (0, 0, 0) , Its
structure factor is F= f F=f
F is independent of the scattering plane (hkl)
2) C- centered Orthorhombic has only two atoms per unit cell having fractional coordinates
(0,0,0) and ( , , 0) , Its structure factor is
F = ff F = F= f [1+]
Case #1 when (h+k) is Even e.g. (001),(110),(112),(021),(002),(023) than F=2f
Case #2 When (h+k) is odd e.g. (100),(101),(102),(031),(032),(033) than F= 0
F is independent of the ‘l’ index

3)  Face Centered Cubic has only four atom per unit cell having fractional coordinates
(0,0,0),(, ,(,0, (0, , , Its structure factor is
F=f [1+++]
Case#1 when (hkl) are unmixed ( all odd or all even) e.g. (111),(200),(220),(333)
than F=4f
Case#2 When (hkl) are mixed e.g. (100),(211),(032)(112) than F=0
 Multiplicity Factor ( P)
 Probability
   of diffraction is higher for some planes than others.
 Example: (100) plane in one crystal is giving diffraction, while from the other
crystal 001 and 010 planes from part of the same diffraction cone because d100 =
d010 = d001
 So we can say that {100}=(100),(010), (001),
 Similarly {111}= (111), (-111),(1-11),(11-1)
 The probability that {111} will be correctly oriented for diffraction is 4/3 the
probability that {100} will be correctly oriented
 relative proportion of hkl planes contributing to the same reflection enters
the intensity equation as the quantity p
 The multiplicity factor is defined as the number of permutations of position and
sign of h,l for planes having the same d and F2
 the multiplicity factor for the {100} planes of a cubic crystal is 6 and for the {111}
 Polarization Factor
SCATTERING
  BY AN ELECTRON:
 x-ray beam will set any electron it encounters into oscillatory motion about its
mean position.
 An electron scatters x-rays, the scattered beam is the beam radiated by the
electron under the action of the incident beam
 The scattered beam is coherent because it has the same wavelength and
frequency as the incident beam
 The radiation will be polarized along the direction of its motion.
 X-rays are scattered in all directions by an electron.
 The intensity of the scattered beam depends on the angle of scattering.
 The intensity I of the beam scattered by single electron of charge e and mass m
at a distance r is given by
I= I=
 Lorentz Factor
 Trigonometrical
   factor which influence the intensity of the diffracted beam.
 The combined effect of polarization and geometric effects ( due to the height
of receiving silts, etc) affect the intensity of a reflection.
Lorentz—polarization factor =
 The overall effect of these geometrical factors is to decrease the intensity of
reflections at intermediate angles compared to those in forward or backward
directions.
 Absorption Factor (A)
The
  intensities of the diffracted rays are affected by the absorption of X-rays in
the specimen itself.
The calculation of A depends on the geometry of the diffraction method
involved
For Debye–Scherrer Camera :
The absorption factor A(function
The specimen is the powered compact with an absorption coefficient is given by
=(
For
  Diffractometer :

A=
 The specimen is the powered compact with an absorption coefficient is given by
=(

The A is independent of (when is low, specimen irradiated area is large but the effect of depth of X-
ray penetration is small and vice versa) since volume remains constant .

Larger the absorption coefficient of the specimen , the lower the intensity of the diffracted beam .

Absorption decreases intensities of all the diffracted beams and therefore does not enter into intensity
calculations
 Temperature Factor
 The
   atoms undergo thermal vibration about their mean positions even at the
absolute zero of temperature, and the amplitude of this vibration increases as
the temperature increases

Increase in temperature has three main effects:

1. The unit cell expands, causing changes in periodicity d and the position of 2
2. The intensities of the diffraction lines decrease ( due to increase destructive
interferences)
3. The intensity of the background scattering between lines increases
The temperature factor is given by .
 thermal
   vibration causes small increase in the breadth of peaks , but the
diffraction lines, are observed to be sharp right up to the melting point.
 The maximum intensity decreases gradually as temperature increases

 The mean amplitude of atomic vibrations (u) is not a function of the

temperature alone but depends on the elastic modulus of the crystal.

 Atomic scattering factor f, under thermal vibration is related to the

temperature factor by
f=