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Lecture 3 X Ray and Neutron Diffraction

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5 views

Lecture 3 X Ray and Neutron Diffraction

Uploaded by

Abroo
Copyright
© © All Rights Reserved
Available Formats
Download as PPTX, PDF, TXT or read online on Scribd
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X-ray and

Neutron
Diffraction
X-ray and neutron diffraction are powerful
techniques for analyzing material
structures. X-ray diffraction (XRD) uses X-
rays to study crystal structures and atomic
spacing, while neutron diffraction employs
neutrons for a complementary analysis,
overcoming some limitations of XRD and
offering unique insights into magnetic
by Abroo Zainab
properties.
X-rays
(a)production (b) interaction with
target
by Abroo Zainab
Production of X-rays
1. Electrons produced: thermionic emission
A current is applied through the cathode filament, which heats up
Construction and releases electrons via thermionic emission. The electrons are
accelerated towards the positive anode by a tube voltage applied
• Evacuated glass across the tube
envelope 2. X-ray production at the anode
• Electron source The electrons hit the anode with a maximum kinetic energy of
the kVp and interact with the anode by losing energy
• Negatively charged 3. Interactions at Anode
Cathode At the anode, electrons can interact with the atoms of the anode
• Positively charged in several ways to produce x-ray photons.
Inner shell interaction: produces characteristic radiation
Anode Nucleus field interaction: Bremsstrahlung
L shell >K shell transition =Kα
M shell >K shell transition=Kβ
M shell> L shell = Lα
N shell> L shell = Lβ
X-ray Diffraction (XRD)
XRD analyzes crystal structures and atomic spacing,
revealing the degree of crystallinity and unit cell
dimensions. An XRD instrument includes an X-ray source,
sample holder, and detector. X-rays diffracted by the
sample are measured at varying angles to create a
diffraction pattern.

1 X-ray Source
Generates the X-rays to illuminate the sample.

2 Sample Holder
Positions the sample for analysis.

3 XRD Detector
Measures the diffracted X-rays.
XRD Analysis Summarization
• X-rays are allowed to fall on sample
• X-rays get diffracted by brags planes
• Path difference between diffracted is integral
multiple of lambda
• They interfere constructively
• We get a diffraction spot on screen
• Different crystalline phases produce unique diffraction
patterns, enabling phase identification by comparing
patterns to reference databases like the ICDD.
XRD Analysis and Limitations
XRD is limited by size constraints,
insensitivity to light elements, low overall
sensitivity, and inability to explain magnetic
properties.
Size Limitations
Effective primarily for large crystalline structures.

Light Element Interaction


Does not interact effectively with light elements.

Sensitivity
Exhibits low sensitivity overall.

Magnetic Properties
Cannot explain magnetic properties of materials.
Neutron Diffraction

Neutron diffraction uses neutron


scattering to determine atomic and
magnetic structures. Neutrons' high
penetration makes them suitable for
analyzing various structure sizes. This
technique differentiates between
neighboring elements and isotopes,
offering high sensitivity.
Neutron Diffraction
Advantages and Applications

Neutron diffraction's key advantages include high


penetration, non-destructive nature, and
sensitivity to light atoms. It's used for
structure determination, locating light atoms,
studying magnetic properties, and analyzing
atomic vibrations and excitations.
1 Structure Determination
Reveals atomic and magnetic arrangemen

2 Light Atom Location


Pinpoints positions of light element

3 Magnetic Properties Study


Investigates magnetic ordering and behav
Neutron Scattering Modes
Neutron scattering has two primary modes: elastic and inelastic. Elastic
scattering involves no energy transfer and helps in crystal structure
studies. Inelastic scattering, where energy is exchanged, measures
lattice vibrations and atomic diffusion.

Elastic Scattering Inelastic Scattering

No energy transfer, used for crystal Energy transfer occurs, used to study
structure studies. lattice vibrations and atomic
diffusion.
Neutron Diffraction
Principle and
Instrumentation
Monochromatic radiation diffracted by the sample
creates a cone at angle 2θ. The diffracted beam is
shaped, and its intensity profile is recorded. The
instrumentation includes a neutron source,
monochromator, diffractometer/spectrometer, and
detector.
1 Neutron Source
Typically a nuclear reactor.

2 Monochromator
Produces a monochromatic neutron beam.

3 Diffractometer/Spectrometer
Facilitates neutron-sample interaction.

4 Detector
Records the diffracted neutrons.
Neutron Diffraction Work flow
Neutrons from a reactor are monochromated and directed at the sample. Filters select
specific wavelengths. Diffracted neutron angles are recorded to create a diffraction
pattern, which is then analyzed for structural insights.
Neutron Production
Neutrons generated in a nuclear reactor.

Monochromation
Neutrons filtered to a specific wavelength.

Sample Interaction
Monochromatic neutrons interact with the sample.

Diffraction Pattern Recording


Diffracted neutron angles are measured and recorded.

Structural Analysis
Diffraction pattern analyzed to determine material structure.

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