MIND MAP 2

Determination of crystal structure

Measure the intern-planar spacing, the inter-planar spacing in a equivalent planes of atoms

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Types of electromagnetic radiation images

To determination atomic structure or arrangement in a crystal use wave diffraction technique

sources of diffraction

primary source:X ray

Secondary sources : Neutron, electron

von Laue (1912); Crystal as 3D diffraction gartings

Electron diffractions is used for surface study of materials

Neutron diffraction is used for high precision study

X ray generation

Process 2- Non- elastic excitation of core electrons

Prosess 1 - Decelaration of electron in the metal target

example of Xray spectrum download

Diffraction pattern of an Xray from a crystal

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Neutron is used to study magnetic structure of materials - based on its magnetic moment

Spectrum of slow neutron - radiation from a narrow wavelenght band selected using a monochromator

short penetration power

suitable for surface study of crystal , thin films and thin crystals

de Broglie relation for e

How diffraction works

wave interacting with a solid

crystalline material

wave interacting with a single particle

According to Bragg's Law download (1)

similar principle to multiple slit experiments

Constructive and destructive interference patterns depends on lattice spacing (d) and wavelenght and radiation (l)

By varying wavelenght and observing diffractions pattern , information about latice spacing is obtained.

Theory , Law , Working principle A-simplified-x-ray-diffraction-schematic-32

W.L Bragg ; explained the diffracted rays form crystals .

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d spacing in different crystal systems spacing+d+between+the+net+planes

working principle : - X ray focused on sample at 0 - Detector opposite source read I at 20 - Incident angle increased over t while detector remain 20

Example pattern of xray diffraction xrayplot-usgs2

Reciprocal Lattice

Real space and reciprocal space

Reciprocal lattice represents the Fourier transform of another lattice (usually a Bravais lattice )

The powder diffractomemters typically use the Bragg-Brentano geometry

A-simplified-x-ray-diffraction-schematic-32

A single crystal specimen in Bragg- Brentano diffractometer would produce only one family of peaks in the diffraction pattern

download (2)

A polycrystalline sample should contain thousands of crystallites . Therefore, all possible diffraction peaks should be observed.

images (1)

Example : Diffraction patterns

xrayplot-usgs2

Relationship between diffraction , peaks, miller indices and lattice spacings

Indexing the peeks

Absences due to lattice centering

a beam of incident x rays are diffracted in a material download (1)

This produce an electron diffraction pattern (example SiC).

To summarize The journey from the real lattice to the different pattern by Real lattice to real Crystal to Reciprocal lattice to Reciprocal crsytal to Diffration Pattern

The Reciprocal lattice crystal-structure-analysis-41-638

Reciprocal lattice to SC, FCC and BCC slide_1

Ewald Construction

X- Ray

Wilhelm Rontgen discovered x-ray while working at the University of Wurzburg. He assumed unknown xrays , were being emmite from the walls of the tube while the cathode ray tube was running

Bragg's law

Bragg's law comfimed the existense of real particles at the atom ic scale, as well, a providing a powerful new tool for studying crystals in the fom of X-ray and neutron diffraction .

Laue Equation and its relation with Bragg's Law

Mas Theodor in 1914 , for his first discovery of the diffraction of x-rays by crystals.The wavelengths of concern to ewald were in the visible region of the spectrum and wavelengths of concern to Ewald were in the visible region.Hence much larger than the spacing between the rosanators .

Bragg and Laue Diffraction

They both deal with elastic scattering of periodic lattice

Laue Equations the-laue-equations-l

Ewald sphere and Reciprocal lattice download (1)

The Ewaald construction is the way to draw bragg's lawa. Crystallographers use it to visualize which reciprocal lattice point will be in diffraction condidtion for a given orientation of the crystal.

Bragg reflected ray download (1)

When a crystal is bombarded with X-rays of a fixed wavelength (similar to spacing of the atomic-scale crystal lattice planes) and at certain incident angles, intense reflected X-rays are produced when the wavelengths of the scattered X-rays interfere constructively.

Experimental Diffraction Technique

Based on Ewald construction for crystal study, 3 technique available based on

Bragg's rule or Laue satisfied by two main methods

Laue technique

Powder technique

Crystal rotation technique download (3)

Powder technique

Laue technique

Transmissin technique images (2)

Reflected ray technique

Film use for recording the diffraction pattern is placed behind the sample and records the fowrad diffracted ray

Film use for recording the diffraction pattern is placed between source and sample.

Calculating Laue's angle

Ewald Construction for laue tehnique

LaueXZ

Ewald construction diagram for crystal rotation technique

images (3)

Difractometer

A diffractometer is a measuring instrument for analyzing the structure of a material from the scattering pattern produced when a beam of radiation or particles (such as X-rays or neutrons) interacts with it.

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Typical diffraction pattern

Solid crystals

Liquid or amorphous solid

Sharifah Azra Bt Abdul Kadir