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
