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EXAFS

X-ray Absorption Fine Structure (XAFS) Spectroscopy analyzes how X-rays are absorbed by atoms, providing insights into local structures around atomic species without requiring long-range order. It is divided into two regimes: Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Absorption Near Edge Structure (XANES), each offering different information about an element's coordination and chemical state. Synchrotron radiation is often used as a source for XAS, allowing for tunable X-ray beams to target specific elements.

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4 views23 pages

EXAFS

X-ray Absorption Fine Structure (XAFS) Spectroscopy analyzes how X-rays are absorbed by atoms, providing insights into local structures around atomic species without requiring long-range order. It is divided into two regimes: Extended X-ray Absorption Fine Structure (EXAFS) and X-ray Absorption Near Edge Structure (XANES), each offering different information about an element's coordination and chemical state. Synchrotron radiation is often used as a source for XAS, allowing for tunable X-ray beams to target specific elements.

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Nitesh Sharma
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X-Ray Absorption Fine Structure (XAFS) Spectroscopy

X-ray absorption spectroscopy (XAS) refers to the details of how X-rays are absorbed by an atom at energies near and
above the core-level binding energies of that particular atom. X-ray Absorption Fine-Structure (XAFS) is the modulation of
the x-ray absorption coefficient at energies near and above an x-ray absorption edge.
X-ray Absorption Fine Structure spectroscopy uses the x-ray photoelectric effect and the wave nature of the electron to
determine local structures around selected atomic species in materials.

Unlike x-ray diffraction, it does not require long range translational order – it works equally well in amorphous materials,
liquids, (poly)crystalline solids, and molecular gases.

The X-ray absorption fine structure is typically divided into two regimes:
1. Extended X-ray absorption fine structure (EXAFS).
2. X-ray absorption near edge structure (XANES)
which contain related, but slightly different information about an element’s local coordination and chemical state.

Fe K-edge XAFS for FeO:


XAFS Characteristics:
• local atomic coordination
• chemical / oxidation state
• applies to any element
• works at low concentrations
• minimal sample requirements
X-ray Absorption Fine-Structure (XAFS) is the modulation of the x-ray absorption
coefficient at energies near and above an x-ray absorption edge. XAFS is also referred
to as X-ray Absorption Spectroscopy (XAS) and is broken into 2 regimes: XANES and
EXAFS which contain related, but slightly different information about an element’s local
coordination and chemical state.

1. Extended X-ray absorption fine structure (EXAFS).


• The number of neighboring atoms.
• The nature of neighboring atoms (their approximate
atomic number)
• Distances between central and neighboring atoms.
• It is not just limited to crystals.

1. X-ray absorption near edge structure (XANES)


SYNCHROTRON AS X-RAY SOURCE

X-rays can also be produced by a


synchrotron, a type of particle
accelerator that causes charged particles
to move in a closed, circular path. When
high-speed electrons are forced to move
in a circular path by a magnetic field, the
angular acceleration causes the particles
to emit photons. If the energy is great
enough, the electrons will emit X-rays.

• Synchrotron X-ray radiation can provide


the intense and continuously tunable X-
ray beams needed for XAS. This allows
the energy of the beam to be changed to
target specific element types.

Fig. 1 shows a schematic of the Indus Accelerator Complex. The two sources, Indus-1 and Indus-2, share a common
injector system consisting of a microtron and a booster synchrotron. The electrons are generated and accelerated to 20
MeV in the microtron and injected through a transfer line TL-1 into the booster synchrotron where its energy is increased to
450 MeV / 550 MeV. RRCAT Indore INDIA
X-ray absorption
X-rays (light with wavelength 0.06 <λ< 12 A° or energy 1< E < 200 keV) are absorbed by all matter through
the photo-electric effect:

• An x-ray is absorbed by an atom when the


energy of the x-ray is transferred to
a core-level electron (K, L, or M shell) which is
ejected from the atom.

• The atom is left in an excited state with an


empty
electronic level (a core hole). Any excess
energy
from the x-ray is given to the ejected
Some Important Terms & Definitions
photoelectron.
 Absorption coefficient (μ)
It describes the extent to which the intensity of an energy beam is reduced as it passes through a specific material.

 Absorption edge
It is a sharp discontinuity in the absorption spectrum of X-rays by an
element that occurs when the energy of the photon corresponds to the
energy of a shell of the atom.
XAFS Theory
Development of the EXAFS Equation

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