University of Punjab, Lahore

Centre of Excellence of Solid State physics

Paper: X-Ray Diffraction

Instructor:
Dr. Shahid Atiq
Name:
Amna Allahditta
Roll.NO:
SSPR212F-21
Section: B
 Presentation Outline
Q. 1 Discuss the following basics of Crystallography, giving
suitable examples.
Basis, Lattice Point, Unit Cell, Single Crystal, Crystal Systems (10)
Q. 2(a) Discuss how the crystal structure of diamond is formed? (5)
(b) Differentiate between real and reciprocal lattice. How
reciprocal lattice is formed?
Give the significance of reciprocal lattice. (10)
Q. 3What are X-rays? How are they produced? Discuss the
production of characteristic X-
rays in details.
Lattice Point:
The regular and period arrangements of point
in crystal is called Lattice point.
Each point on the lattice represents one
particle of the crystal,
This particular particle may be an atom, a
molecule or even ions

By joining of these points we get the geometry

(or shape) of the crystal
 
A unit cell is the most basic and least volume
 consuming repeating structure of any solid.
The entire of the space lattice is built by the
repeating arrangement of unit cells. A unit
cell is a geometric shape even by itself. It has
three edges and three  angles.
Single crystal, any solid object in which
an orderly three-dimensional
arrangement of the atoms, ions, or
molecules is repeated throughout the
entire volume.
Such a material has no grain boundaries,
so it is completely uniform throughout
the entire crystal, regardless of its size.
 In 2D space, there are four crystal
systems: oblique, rectangular, square,
and hexagonal. systems: oblique,
rectangular, square, and hexagonal.
 In 3D space, there are Seven crystal
systems: cubic, tetragonal, hexagonal
(trigonal), orthorhombic, monoclinic, and
triclinic.They have 14 bravais lattice.
Question 2(a)
Diamond Crystal Structure
Diamond is a metastable allotrope of carbon where the
each carbon atom is bonded covalently with other
surrounding four carbon atoms and are arranged in a
variation of the face centered cubic crystal structure
called a diamond lattice
Diamond is a solid form of pure carbon with its atoms
arranged in a crystal. In diamond they are sp3 and the
atoms form tetrahedra with each bound to four nearest
neighbors.
Question 1:
Basis:
An atom or group of atom associated each
lattice point is called basis.
Thus the origins of two FCC
sub lattices lie at (0, 0, 0) and (1/4, 1/4,1/4
Face centered atoms = ½ x 6 = 3.
Corner atom8 x 1/8 = 1
Four atoms are placed completely inside
Numberof atom per unit cell, n = 1 + 3 + 4
= 8The lattice constant, a = 3.5A0.

Atomic Radius:-
Question 2(b)
The direct lattice represents the triple
periodicity of the ideal infinite perfect
periodic structure that can be associated to
the structure of a finite real crystal.
The reciprocal space lattice is a set of
imaginary points constructed in such a way
that the direction of a vector from one point
to another coincides with the direction of a
normal to the real space planes and the
separation of those points (absolute value of
the vector) is equal to the reciprocal of the
real interplanar distance.
1895 while studying cathode rays
(stream of electrons) in a gas discharge
tube. He observed that another type of
radiation was produced . He named the
new radiation x-rays.
X-Ray :
X-rays are a form of electromagnetic
radiation. They belong to the short-
wavelength, high-frequency end of the
electromagnetic spectrum, between the
gamma and the ultraviolet radiation. They
Production of X-Ray:
X-rays are commonly produced in X-ray tubes by accelerating
electrons through a potential difference (a voltage drop) and
directing them onto a target material (i.e. tungsten).
The incoming electrons release X-rays as they slowdown in the
target (braking radiation or bremsstrahlung). The X-ray photons
produced in this manner range in energy from near zero up to
the energy of the electrons. An incoming electron may also
collide with an atom in the target, kicking out an electron and
leaving a vacancy in one of the atom’s electron shells. Another
electron may fill the vacancy and in so doing release an X-ray
photon of a specific energy (a characteristic X-ray). The X-ray
spectrum shown in the picture is a plot of the number of
photons against the photon energy.
Other Method:X-rays can also be produced
by a synchrotron. A synchrotron is a device
that accelerates electrons in an evacuated
ring (often several tens of metres in
diameter), steering them with magnets.
Manipulating the electron beam in a
controlled way with the magnets can
produce intense beams of X-rays.
Characteristic X-Rays:
Characteristic x-rays are emitted from heavy elements when their electrons make
transitions between the lower atomic energy levels. The characteristic x-ray emission
which is shown as two sharp peaks in the illustration at left occur when vacancies are
produced in the n=1 or K-shell of the atom and electrons drop down from above to
fill the gap. The x-rays produced by transitions from the n=2 to n=1 levels are called K-
alpha x-rays, and those for the n=3→1 transition are called K-beta x-rays.
Transitions to the n=2 or L-shell are designated as L x-rays (n=3→2 is L-alpha, n=4→2
is L-beta, etc. ). The continuous distribution of x-rays which forms the base for the
two sharp peaks at left is called "bremsstrahlung" radiation.
X-ray production typically involves bombarding a metal target in
an x-ray tube with high speed electrons which have been
accelerated by tens to hundreds of kilovolts of potential. The
bombarding electrons can eject electrons from the inner shells of
the atoms of the metal target. Those vacancies will be quickly filled
by electrons dropping down from higher levels, emitting x-rays
with sharply defined frequencies associated with the difference
between the atomic energy levels of the target atoms.
The frequencies of the characteristic x-rays can be predicted from
the Bohr model. Moseley measured the frequencies of the
characteristic x-rays from a large fraction of the elements of the
periodic table and produced a plot of them which is now called a "
Moseley plot".
Characteristic x-rays are used for the investigation of crystal
structure by x-ray diffraction. Crystal lattice dimensions may be
determined with the use of Bragg's law in a Bragg spectrometer.
The K shell has the highest ionization energy or 
critical ionization energy in the atom. That is, more
energy is needed to remove an electron from this
shell than from subshells further from the nucleus.
The further from the nucleus the electron is, the
lower its ionization energy. Characteristic X-rays
 are produced by electron transitions between the
electron shells. The electrons in each shell and
subshell have specific ionization energies, and
these are different for every element, that is, the
ionization energy for the K shell in Si (1.84 keV) is
different from the ionization energy of the K shell in
Pt (78.4 keV).
Applications. Characteristic X-rays can
be used to identify the particular element
from which they are emitted. This
property is used in various techniques,
including X-ray fluorescence
spectroscopy, particle-induced X-
ray emission, energy-dispersive X-
ray spectroscopy, and wavelength-
dispersive X-ray spectroscopy.