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X-RAY DIFFRACTION

(XRD)
BY IPSHITA RANJANA
63
120903248

INTRODUCTION
When an incident beam of monochromatic X-rays interacts with a crystalline
substance, the atomic planes of the crystal causes an incident beam of X-rays to
interfere with one another as they leave the crystal. The phenomenon is called Xray diffraction.

BRAGGS LAW
Bragg Law was first proposed by William Henry BraggandWilliam Lawrence Braggin response to
their discovery thatcrystallinesolids produced surprising patterns of reflected X-rays. They found
that these crystals, at certain specific wavelengths and incident angles, produced intense peaks of
reflected radiation (known asBragg peaks).
W. L. Bragg explained this result by modeling the crystal as a set of discrete parallel planes separated
by a constant parameterd. It was proposed that the incident X-ray radiation would produce a Bragg
peak if their reflections off the various planes interfered constructively. The interference is
constructive when the phase shift is a multiple of this condition can be expressed by Bragg's law:

n= any positive integer


= wavelength
d= distance between crystal planes
= scattering angle

Incident Angle
Reflected angle
X-ray Wavelength

Total Diffracted
Angle 2

XRD RESULTS ANALYSIS


A diffraction pattern is obtained by measuring the intensity of scattered waves as a
function of scattering angle. Very strong intensities known as Bragg peaks are
obtained in the diffraction pattern at the points where the scattering angles satisfy
the Bragg condition.
The three features of a diffraction pattern:
The number of peaks
The position of peaks:
Intensities of the peaks:

DIFFRACTION PATTERN ANALYSIS


.

A comparison of the X-ray powder diffraction patterns of NaCl (bottom) and KCl (top).

METHODS
SINGLE CRYSTAL X-RAY DIFFRACTION
THE POWDER METHOD

SINGLE CRYSTAL X-RAY DIFFRACTION

This is a powerful technique that is


commonly used to determine the
structures of new materials.

It has three basic steps:


Obtaining a perfect crystal
Placing it under an intense beam of light
Combing data to produce a refine
crystal model

LIMITATIONS

However, the technique is limited by the ability to grow nearly perfect crystals that
are suitable for diffraction.
Due to this limitation and the time and cost-intensive nature of the technique,
single crystal diffraction is not used for routine structural characterization of known
materials.

THE POWDER METHOD


For routine structural characterization of
materials, X-ray powder diffraction is
far more common.
samples for powder diffraction may be
large crystals, or they may be in the form
of a powder composed of microcrystal's
that are too small to be seen by the
human eye.
The underlying principles of the
experiment are the same in both powder
diffraction and single crystal diffraction,
although the data analysis is much
simpler in powder diffraction.

APPLICATIONS
Pharmaceutical industry

used to unambiguously characterize the composition of pharmaceuticals.

Forensic science
XRD is used mainly in contact trace analysis.
Geological applications
Since the 1920s, X-ray diffraction has been the principal method for determining the
arrangement of atoms in minerals andmetals. XRD is the key tool in mineral
exploration. Each mineral type is defined by a characteristic crystal structure, which
will give a unique x-ray diffraction pattern, allowing rapid identification of minerals
present within a rock or soil sample. The XRD data can be analyzed to determine the
proportion of the different minerals present.

Microelectronics industry
As the microelectronics industry uses silicon and gallium arsenide single crystal
substrates in integrated circuit production, there is a need to fully characterize these
materials using the XRD. XRD topography can easily detect and image the presence
of defects within a crystal, making it a powerful non-destructive evaluation tool for
characterizing industrially important single crystal specimens.
Glass industry
While glasses are X-ray amorphous and do not themselves give X-ray diffraction
patterns, there are still manifold uses of XRD in the glass industry. They include
identification ofcrystalline particles which cause tiny faults in bulk glass, and
measurements of crystalline coatings for texture and crystallite size

REFRENCES
Wikipedia
X-Ray Diffraction by Hanno zur Loye

http://serc.carleton.edu/research_education/geochemsheets/BraggsLaw.html

X-ray Diffraction, by B.E. Warren, General Publishing Company, 1969, 1990


http://www.chem.uci.edu/~lawm/263%204.pdf
http://www.xos.com/techniques/xrd/

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