XAS•Lab Interactive XANES / EXAFS simulation
Compound
Live readout
Pre-edge
Detector signals
Transmitted It/I01.000
Fluorescence If (rel.)0.000
Beer–Lambert: It = I0e−μd. Fluorescence rises as the sample absorbs more of the incident beam.
Animation
Sweep speed0.5×
kmax (Å−1)8.0
Sample thickness (μd)1.0 τ
3D views
The white, multi-wavelength beam is monochromatised by the DCM before it reaches the sample environment.
Schematic: beamline components, sample environment, atoms and molecular models are not drawn to scale.
Layers
Legend
White beam (many wavelengths, before the DCM)
Monochromatic X-ray (after the DCM, I0)
Transmitted X-ray (It, dimmed by e−μd)
Fluorescent X-ray (Kα, to SDD A and SDD B)
Scattered photoelectron (expanding)
Back-scattered return path
Current energy / μ(E) point
About this compound
Detectors
Double-crystal monochromator (DCM): two Si(220) crystals set the Bragg angle θB so that only one wavelength, λ = 2d sin θB, leaves the monochromator. Before the DCM the beam is white; after it, monochromatic.
Ion chambers (transmission): I0 measures the beam before the sample; I1 and I2 measure it after the sample and after a reference foil. The signal falls as It = I0e−μ(E)d.
Silicon drift detectors / SDD A and SDD B (fluorescence): both sit at 90° to the beam in the horizontal plane, on opposite sides of the sample. They count the characteristic Kα X-rays emitted after the core hole is filled. The fluorescence signal grows with the absorbed fraction, 1−e−μ(E)d.
Data source
Loading measured XASDB spectrum…
How the signal forms
White beam → monochromatic: the source emits many wavelengths. The double-crystal monochromator selects one, λ = 2d sin θB, so turning the Bragg angle scans the photon energy E = hc/λ through the absorption edge.
Pre-edge: photon energy below the 1s binding energy E0 — the core electron stays bound, so absorption is small.
XANES: at the edge the photon ejects a 1s core electron; the 1s→4p transition (hybridized with 3d) gives the white line. Its energy and shape track oxidation state and coordination.
EXAFS: the ejected photoelectron wave scatters from neighbours and returns to interfere with the outgoing wave. The round-trip path 2R sets the oscillation χ(k) ∝ sin(2kR+φ); the amplitude decays with k (mean-free-path + thermal damping), and a Fourier transform of kχ(k) gives the neighbour distances R.
Photon wavelength: λ = hc/E. At the Cu K-edge (≈8.99 keV) the X-ray wavelength is ≈1.38 Å; the animation uses this real wavelength, so the drawn wave becomes tighter at higher energy.
Transmission vs fluorescence: an ion chamber after the sample measures It/I0 = e−μd. A fluorescence detector (SDD) measures photons emitted in all directions; its signal rises as 1−e−μd and saturates for thick samples. The two detectors are complementary: transmission is strongest below the edge, fluorescence above it.
Drag to rotate · scroll to zoom · right-drag to pan · schematic, not to scale
μ(E) — XANES / EXAFS spectrum