X-rays and their interaction with matter

Luigi Paolasini

European Synchrotron Radition Facility

[email protected]

Page 1 L. Paolasini - X-rays and their interaction with matter

 OUTLINES

“X-rays and their interaction with matter”

Ø Waves and photons

Ø Elastic and inelastic scattering
Ø Absorption spectroscopies
Ø Optical properties

Page 2 L. Paolasini - X-rays and their interaction with matter

 X-RAY DISCOVERY: W.C. RÖNTGEN, 1895
Röntgen discovered a penetrating form of electromagnetic radiation able to pass
through the human body: the X-rays.
X-rays are produced by collision of electrons with a metal target (kinetic energy
loss, “bremstralung”)

Röntgenogram

Page 3 L. Paolasini - X-rays and their interaction with matter

 CRYSTAL DIFFRACTION: MAX VON LAUE, 1912

X-rays are electromagnetic waves:

- The x-ray wavelengths are comparable with the interatomic distances and
molecular bonds.
- Typical interference x-ray patterns when pass through a periodic arrangement
of atoms, like in a crystal, and reveal their crystallographic symmetries.

kf
k
i

Page 4 L. Paolasini - X-rays and their interaction with matter

 THEORY OF X-RAYS DIFFRACTION: BRAGG LAW, 1913

The interference X-ray pattern contains the signature of the periodic

arrangement of atoms in a crystals.

The Bragg’s law define the relation between interatomic distances d and
scattering angle q

Bragg Law: 2d sinq = nl

Photographic film d = l/2 sinq

Crystal
l q
l: wavelength
q: diffraction angle
d: interatomic distance
n: integer number
Page 5 L. Paolasini - X-rays and their interaction with matter
 FROM COOLIDGE TUBE TO ROTATING ANODE.
W.D. Coolidge’s tube from General Electric developed in 1912 served as
the standard X-ray tube for many decades until the advent of rotating
anode generators.

The X-ray spectrum has two distinct components:

- Bremsstrahlung radiation : a continuous component
- Sharp radiations with a characteristic energy emission Ka and Kb of
the metal target.
- Only 1% of the incident energy is emitted in the form of x-rays

Page 6 L. Paolasini - X-rays and their interaction with matter

 X-RAY TUBES: ROTATING ANODE

Today powerful x-rays sources can be obtained by rotating

anode x-ray tubes.

X-ray tubes are also used in CAT scanners, airport luggage

scanners, X-ray crystallography, and for industrial
inspection.

Page 7 L. Paolasini - X-rays and their interaction with matter

 DISCOVERY OF SYNCROTRON RADIATION : GENERAL ELECTRIC 1947

Electromagnetic radiation emitted when charge particles moving at ultra-relativistic energies are forced to
change direction under the action of a magnetic field.

First observation of synchrotron radiation E >> mec2 ~ 0.511 MeV

g = E/mec2 >> 1
g ~ 1957 E[GeV]

1/g

Synchrotron emission
Visible light emission discovered in a 70-MeV
betatron at General Electric in 1947.

Page 8 L. Paolasini - X-rays and their interaction with matter

 SYNCHROTRON RADIATION IN ASTRONOMY

Most of the radiation of our galaxy is composed by synchrotron radiation.

Crab nebula Synchrotron light was first detected in a jet emitted by

M87 in 1956 by Geoffrey R. Burbidge.

Gas emission (red) and synchrotron light (blu) produced

by high energy electrons in the magnetic field of a neutron
star (Crab nebula)

Page 9 L. Paolasini - Introduction to X-ray sources and their applications: from synchrotrons to free electron lasers
 THE SYNCHROTRON RADIATION FACILITY
The Synchrotron is a “storage ring” where the electrons are first accelerated by a booster at high
energies and then constrained on a circular orbit.
X-rays are produced by the insertion devices (bending magnets or undulators) and then used in the
different beamlines located in the tangent of electron trajectory

Storage ring

electrons

LINAC

X-rays Booster
Synchrotron

L. Paolasini - Introduction to X-ray sources and their applications: from synchrotrons to free electron lasers Beamlines
Page 10
 X-RAYS LARGE SCALE FACILITIES

European Synchrotron Radiation Facility

SYNCHROTRONS :
the electrons circulate in a close orbit

FREE ELECTRON LASERs:

the electrons travel in linear accelerators

X-Fel Ambourg

Page 11 L. Paolasini - X-rays and their interaction with matter

 X-RAYS ARE ELECTROMAGNETIC WAVES
Wavelenght : l = 2p/k = c/ n Energy : hn = E Planck’s constant : h

Large wavelengths Small wavelengths

radio microwaves infrared visible ultraviolet

ultraviolet X-rays Gamma rays
103 10-2 10-5 0.510-6 10-8-8
10 10-10 10-12

Buildings Human body Insects Needle Cells Molecules Atoms Nuclei/quark

Radio waves Radar Microscopes Synchrotrons Large accellerators

Page 12 L. Paolasini - X-rays and their interaction with matter

 X-RAYS LENGTH SCALES

ULTRA SMALL

Planck’s constant h = 4.135 x 1015 eV s

ex. 1 Å = 0.1 nm @ 12.398 keV

Hard X-rays
1.2 MeV - 2.5 keV ~ 0.001÷ 0.5 [nm]

Soft X-rays
2.5 keV - 100 eV ~0.5 ÷ 12 [nm]

Page 13 L. Paolasini - X-rays and their interaction with matter

 X-RAYS TIMESCALES

ULTRA FAST

10keV X-rays

2.4 x 1018 Hz = 2.4 exa Hz

T = 41 x 10-3 fs = 41 attosecond

l = 12.5 nm = 1.25 Å

Pulse duration ESRF

20 ps

Pulse duration X-FEL (theory)

4.5 fs

Page 14 L. Paolasini - X-rays and their interaction with matter

 ELECTROMAGNETIC WAVES AND MAXWELL EQUATIONS
The electromagnetic field generated by the electrons is described by the electric E and
magnetic B in term of scalar F and vector A potential:

Vector potential

Space periodicity Time periodicity

l=2p/k T=1/n

Transverse EM waves

Page 15 L. Paolasini - X-rays and their interaction with matter

 X-RAYS POLARISATIONS
- The X-rays delivered by the insertion devices (bending magnets or undulators) are transverse polarized
electromagnetic waves
- The polarization vector e is parallel to the electric field E.
- Some particular insertion devices can also deliver circular polarization (ex. helical undulators, phase
plates)

Linear transverse EM wave Circular transverse EM wave

Page 16 L. Paolasini - X-rays and their interaction with matter

 WAVE - PARTICLE DUALITY
Description of the behaviour of a quantum-scale objects.
Heisenberg uncertainly principle:
Cannot define both D and l to an arbitrary accuracy

Oscillations ® wave
Envelope ® particle localization

Wave: D>>l particle: D<<l

Decreasing D to define better the position, but we lose information on l

Energy: E = hν = ħω h= Planck’s constant

where ν=frequency
Momentum: p=h/λ = ħk
k=wavevector

Page 17 L. Paolasini - X-rays and their interaction with matter

 WAVES AND PHOTONS : QUANTUM MECHANICS ASSUMPTIONS

(i) Particles are represented mathematically by a wavefunction, ψ(r)

(ii) Probability of finding a particle in a (infinitesimal) volume dV is |ψ(r)|2dV

Infinite plane wave (spatial part):

ψ(z) = eikz = cos(kz) + i sin(kz)
|ψ|2 = ψψ* = eikze-ikz =1
1 particle per unit volume everywhere!
Spherical wave: r
ψ(r) = b/r eikr
|ψ(r)|2 = ψψ*= b2/r2
Density of particles falls as 1/r2

Flux of particles
I = No. of particles incident normally on unit area per second =
= particle density x velocity
= |ψ|2 x v = |ψ|2 ħk/m (m-2 s-1)
Page 18 L. Paolasini - X-rays and their interaction with matter
 TOTAL SCATTERING CROSS SECTION
Total cross section: Effective area viewed by scattering particles!

Classical case: Incident flux f0

no. particles scattered per second = f0 x πa2

σ = πa2 Cross-sectional area of

n. Particles x unit area x sec.
sphere

Quantum case:
Incident wave ψ0 = eikz Incident flux
Incident flux f0=|ψ0|2 v = v f0=|ψ0|2 v
Scattered wave ψsc = b/r eikr
Scattered flux fsc=|ψsc|2 v = b2v/r2
no. particles scattered per second = fsc x 4πr2

σ = 4πb2 b= scattering length

Page 19 L. Paolasini - X-rays and their interaction with matter

 DIFFERENTIAL SCATTERING CROSS SECTION
Definition:

Solid angle subtended by the detector:

DW = A/L2

No. particles detected per sec.:

ds/dW =( |ψsc|2 v x A) / (|ψ0|2 v dW)

|ysc|2 = b2/L2 Detector area

(barns/steradian) 1 barn=10-28 m2

Notice that ysc is a spherical wave |ysc|2 = b2/L2

Page 20 L. Paolasini - X-rays and their interaction with matter
 SCATTERING PROBES AND INTERACTION POTENTIALS

The scattering length b depends from the type of interaction potential with the scattering probes

Neutrons:
Nuclear and magnetic interaction

X-rays:
Electromagnetic and core-hole interactions

Electrons:
Electrostatic interaction

Page 21 L. Paolasini - X-rays and their interaction with matter

 X-RAY MATTER INTERACTION

Photons are totally absorbed by the

material

sample

Photons are deviated by their

straight direction

Photon absorption/emission : Excitation with or without emission of electrons

Photon scattering : Elastic coherent => Thomson

Inelastic incoherent => Compton
Resonant => elastic or inelastic
Page 22 L. Paolasini - X-rays and their interaction with matter
 X-RAY ELASTIC SCATTERING BY A FREE ELECTRON
w The incident electric field Ein forces the motion of the electron : Lorentz’s Force F=qE
w Re-radiation of a spherical wave Erad
Radiated spherical field Erad at observer position R:
- proportional to the electron acceleration
- anti-phase with respect Ein
- decreases with cos(y)

Thomson scattering length:

(Classical electron radius)

Page 23 L. Paolasini - X-rays and their interaction with matter

 POLARIZATION DEPENDENCE OF THOMSON SCATTERING

The differential cross section for the Thomson scattering depends from the incident and
scattered photon polarizations

a) b) Dipole radiation

Page 24 L. Paolasini - X-rays and their interaction with matter

 MAGNETIC SCATTERING BY A FREE ELECTRON

The magnetic scattering amplitudes are very weak because proportional to the relativistic factor E/mc2

Both the H magnetic and the electric E

field interact with the charge and
magnetic moments of the electron

from: de Bergevin and Brunel (Acta Cryst, 1981)

Page 25 L. Paolasini - X-rays and their interaction with matter
 THOMSON SCATTERING BY TWO FREE ELECTRONS

- Interference between scattered X-rays observed in the direction k’ and at large distances (far field limit),
with |k|= |k’|= 2p/l.
- The phase difference between the two scattered X-rays is Df=(k-k’) . r = Q . r

Differential scattering cross section

Q = wavevector transfer or scattering vector

Page 26 L. Paolasini - X-rays and their interaction with matter

 RANDOM DISTRIBUTION OF TWO FREE ELECTRONS
The scattering intensity depends from the relative orientation of scattering vector Q and the
vector rn. (with neglet the polarization)

Scattering cross section (two electrons):

Scattering cross section (two electrons):

orientational average

Page 27 L. Paolasini - X-rays and their interaction with matter

 THOMSON SCATTERING BY MANY FREE ELECTRONS
In general if we have a random distribution of electrons, the scattering function is obtained sum
“coherently” all the individual terms

Thomson differential scattering cross

section for a electron charge distribution

Page 28 L. Paolasini - X-rays and their interaction with matter

 THOMSON SCATTERING BY ONE ATOM
The form factor is related to the Fourier transform of charge density distribution:

The Q dependence is due to the fact that the Thomson scattering is produced by all atomic electrons,
which have a spatial extent of the same order of magnitude as the X-ray wavelength.

a0=Bohr radius Z=3

Z=3
Z=1 Z=1
Z=1 H
Z=3 Li

Page 29 L. Paolasini - X-rays and their interaction with matter

 SCATTERING BY TWO ATOMS
The scattering of two atoms which have a spatial extent of electron distribution of the same order of magnitude
as the X-ray wavelength.

f(Q) Atomic form factor

Zr0

Electron distribution

Page 30 L. Paolasini - X-rays and their interaction with matter

 SCATTERING FROM A MOLECULE

CF4 molecule F Mo Form factor

(Mo=42 electrons)

|Fmol±|2

|Fmol|2
C
F
F
F
F=fluorine= 9e-
C=carbon= 6e-

Molecular structure factors

Q // C-F bond

Orientational average

Page 31 L. Paolasini - X-rays and their interaction with matter

 COMPTON SCATTERING (BY A FREE ELECTRON)
Inelastic collision between a photon and an electron at the rest in which part of the the photon energy is
transferred to the electron (photon “red shift”)
Compton scattering wavelength

Fine structure constant

Energy shift

Maximum “red-shift” when y=180 deg.

No variation when y=00

This scattering is incoherent and contribute only to the background.

Page 32 L. Paolasini - X-rays and their interaction with matter

 INCOHERENT INELASTIC COMPTON SCATTERING

The inelastic scattering dominates at high Q vectors and for low Z elements

Thomson scattering intensity approach Z2 when Q®0

Compton scattering approaches Z when Q®∞

Elastic and inelastic scattering in noble gas

Compton scattering

elastic scattering

Page 33 L. Paolasini - X-rays and their interaction with matter

 COHERENT ELASTIC SCATTERING(THOMSON)
Scattering processes conserve the number of photons
If the photon energy is conserved, the scattering is elastic. If not. It is inelastic

one atom Atomic form factor

Molecule structure factors

a molecule

Crystal structure factors

a crystal

Page 34 L. Paolasini - X-rays and their interaction with matter

 CRYSTAL STRUCTURE FACTOR

The Fourier transform of the crystal (the crystal structure factor) is equal to the product of the FT of
lattice and the basis

Rn

FT Lattice FT Basis

The lattice sum is non vanishing only when:

Laue conditions

Page 35 L. Paolasini - X-rays and their interaction with matter

 EXAMPLE OF RECIPROCAL SPACES

Page 36 L. Paolasini - X-rays and their interaction with matter

 EQUIVALENCE BRAGG-LAUE

Bragg’s law:

Laue’s condition

Differential cross section for the

Bragg diffraction in crystals

Page 37 L. Paolasini - X-rays and their interaction with matter

 EWALD SPHERE

Geometric construction that allows one to visualize the Bragg' law during the elastic diffraction experiment

Only all the reciprocal lattice points Ghkl intercepting the All the Ghkl contained in limiting sphere could be reached
Ewald sphere fulfill the Bragg conditions by rotating the sample about the goniometer axis

Page 38 L. Paolasini - X-rays and their interaction with matter

 POWDER DIFFRACTION
Size and symmetry of the unit cell

Debye-Scherrer cone

Detector aperture d

Multiplicity mhkl Lorentz factor Polarization factor

Page 39 L. Paolasini - X-rays and their interaction with matter

 EXAMPLE : HIGH PRESSURE SYNTESIS OF SULFUR
• Pressure up to 17 GPa on 2 mm3 sample volume
• Resistive heating up to 2000 K
At RT-RP, Orthorhombic Fddd
based on S8 rings (molecular units)

P=3GPa T=600K

Hexagonal P3221

Page 40 L. Paolasini - X-rays and their interaction with matter

 WHITE BEAM LAUE PATTERN
Polychromatic beam technique used in protein crystallography or in more complex structures.
Data collection of a large number of reflections

All the lattice points contained in the grey area

contribute to the Bragg diffraction

Page 41 L. Paolasini - X-rays and their interaction with matter

 TIME RESOLVED PROTEIN CRYSTALLOGRAPHY

Time-resolved MX using the Laue technique (White/Pink beam)

Structure of MbCO at different time delays after

photolysis. The bound CO dissociates, eventually
becoming trapped in sites 4 and 5, where it remains
out to the microsecond time scale.

F. Schotte et al., (2003), Science, 300, 1944-1947.

Page 42 L. Paolasini - X-rays and their interaction with matter

 X-RAY DIFFRACTION WITH 2D DETECTORS

• Multi-length scale problems

(e) Specialized single crystal
diffraction.
(d) Liquid and amorphous materials
scattering at short working distances

(c) Single crystal diffuse scattering

(b) Powder
diffraction at large
working distances

(a) Powder diffraction at

short working distances

- Large input surface (>150 mm diameter)

- High spatial resolution (50 to 100 mm)
- High dynamic range (14 bits or more)
- High sensitivity (quantum efficiency)
- Fast read-out (a few seconds or less)

Page 43 L. Paolasini - X-rays and their interaction with matter

 State-of-the-art methods for diffuse scattering/diffraction
studies of crystalline materials

- Direct space real structure of systems with correlated disorder

- Time-resolved diffuse scattering studies of phase transitions
- Electron-phonon coupling in strongly correlated electron system
- Shape determination of Fermi surface in metallic systems
- Vibrational properties of nano-modulated and low-dimensional systems
Ø Absorption
Structured diffuse
Multiple phase crystal Static disorder scattering Thermal diffuse

Page 44 L. Paolasini - X-rays and their interaction with matter

 Inelastic X-ray
scattering

Page 45 L. Paolasini - X-rays and their interaction with matter

 LATTICE VIBRATIONS
Vibrations around equilibrium position Origin: - Thermal vibration
- Zero point fluctuations
Istantaneous displacement
Around the equilibrium position

Temporal (thermal) average

Istantaneous structure factor:

Scattering intensity proportional to the thermal average

Page 46 L. Paolasini - X-rays and their interaction with matter

 INELASTIC X-RAY SCATTERING
- High energy resolution studies of collective motion in solids and liquid phases
- Simultaneous information on energy E and momentum Q transferred between the photons and the electonic
systems of interest

• Energy transfer: Ei - Ef = DE = 1 meV – 200 meV

• Momentum transfer: Dk= 1 – 180 nm-1
kf Q = k i -k f
- Phonon dispersion in single crystals with small sample volume
- Collective dynamics in disordered systems
- Phonon dispersion in geophysical relevant materials ki
- Lattice dynamics in thin films and interfaces

Sound velocities and Superconductors Phase stability

elasticity Thermal Conductivity

Page 47 L. Paolasini - X-rays and their interaction with matter

 Schematic inelastic X-ray spectrum

phonons +
magnons

Page 48 L. Paolasini - X-rays and their interaction with matter

S. Galombosi, PhD thesis, Helsinki 2007
 Scattering in
non-crystalline materials

Page 49 L. Paolasini - X-rays and their interaction with matter

 NON CRYSTALLINE MATERIALS
Radial distribution function:

Radial electronic density:

Averaged areal el. density

rat

g(r)®1 r(r)®rat

The radial distribution function g(r) is the FT of the scattered intensity I(Q).
Page 50 L. Paolasini - X-rays and their interaction with matter
 SCATTERING INTENSITIES : FROM GAS TO SOLIDS

Page 51 L. Paolasini - X-rays and their interaction with matter

 SCATTERING OF GLASSES AND LIQUIDS

Short range order ISRO

Scattering intensity
Small angle scattering ISAXS

Deviation of the electron density between two different scattering centers with respect to the averaged
electron density

electron density at rnm=(rn-rm) with we add and subtract this term at the scattering intensity
respect at rn

ISRO : Structural information on interatomic distances

ISAXS : Information on shape. Morphology and size of molecular aggregate
Page 52 L. Paolasini - X-rays and their interaction with matter
 EX.: LIQUID METALS
Electrostatic levitation
Liquid/glass “structure factor”

Ti39Zr39.5Ni21 Laser heating

Radial distribution function of Liquid/glass

2mm

L Radia
The peak position indicate the first neighbour distance
r=2.5 Å

The integral of the first peak gives the number of the

atoms in the first coordination shell

N~12 nearest neighbours

Icosahedral coordination

Page 53 L. Paolasini - X-rays and their interaction with matter

 SMALL ANGLE X-RAYS SCATTERING (SAXS)
Scattering at small Q vectors is sensitive to the uniform electron distribution in molecules of shaped large
object (polymers, biological macro-molecules ...)

Scattering length density: Fourier transform of charge density

For diluted molecules in solutions:

Particle “form factor”

Particle scattering Solvent scattering

length density length density

Vp particle volume
Page 54 L. Paolasini - X-rays and their interaction with matter
 EX.: SAXS ON RIGID SPHERES
Small angle scattering experiment on a rigid sphere of radius R

Dr= excess of number of electrons with respect to the solvent

F(Q) form factor of the sphere
Vp=volume of the sphere

Form of the a sphere of radius R

Long wavelength limit

Page 55 L. Paolasini - X-rays and their interaction with matter

 PARTICLE DIMENSIONALITY
Radius of giration

Sphere
Uniform sphere

Page 56 L. Paolasini - X-rays and their interaction with matter

 SMALL ANGLE X-RAY SCATTERING (SAXS) IN STRUCTURAL BIOLOGY

Small Angle X-ray Scattering (SAXS) is a technique for studying structure at low resolution in
solution & under normal biophysical/biochemical conditions
Information from SAXS: - model independent parameters (Rg, I(0))
- ab initio shape determination
- rigid body modelling

molecular shape, molecular interactions, kinetics, etc…

Page 57 L. Paolasini - X-rays and their interaction with matter

 X-rays absorption

Page 58 L. Paolasini - X-rays and their interaction with matter

 PHOTON ABSORPTION/EMISSION

The absorption of electromagnetic radiation change with the wavelength and depends from the
characteristic properties of photon/matter interaction.

3.3 mm 8-9 µm 0.35-0.38 µm 25 pm ~ 10-10mm > 10-11mm

0.74-0.38 µm
(microwaves) (IR) (UV) (X-rays) (g-rays)
(visible)

Page 59 L. Paolasini - X-rays and their interaction with matter

 ABSORPTION AND EMISSION PROCESSES
Absorption and emission processes are tools for basic analysis of the electronic structure of atom,
molecules and solids over different energy scales.

Photo-electric absorption

Photon absorbed and electron emitted in the

continuum

Fluorescent emission

An electron from the outer shell fill the

hole and emit a photon

Auger electron emission

The atom relax into the ground state by emitting an

electron

Page 60 L. Paolasini - X-rays and their interaction with matter

 INTERACTION HAMILTONIAN

The interaction Hamiltonian is the weak relativistic limit of Dirac’s equation (terms v/c < 1)

Absorption and emission processes

Scattering processes

Page 61 L. Paolasini - X-rays and their interaction with matter

 PHOTO-ELECTRON ABSORPTION AND EMISSION PROCESSES

Absorption and emission processes of photo-electrons probe the atomic level and valence orbital
symmetries of the material under investigation.

Page 62 L. Paolasini - X-rays and their interaction with matter

 ABSORPTION OF AN ISOLATED ATOM

Page 63 L. Paolasini - X-rays and their interaction with matter

 X-RAY ABSORPTION EDGES
X-rays energies are able to extract atomic electrons from the atomic core.
The element-specific energies of the discontinuous jumps in the x-rays absorption spectra are called
absorption edges.

104
LIII 2p3/2
LII 2p1/2
103 LI 2s
µ/ρ (cm /g)
2

K 1s
102 MV 3d5/2
MIV 3d3/2
MIII 3p3/2
101
MII 3p1/2
MI 3s
65-Tb,
100
1 10 100
hω (keV) (nlj)2j+1
j=l±½
Page 64 L. Paolasini - X-rays and their interaction with matter
 ABSORPTION EDGES SCALE FACTORS : EXPERIMENT

~0.02 barn

K-edges

L-edges

Page 65 L. Paolasini - X-rays and their interaction with matter

 ABSORPTION IN GAS AND CRYSTALLINE MATERIALS

Graphite surface

NEXAFS
EXAFS

XANES (near edge structure)

Page 66 L. Paolasini - X-rays and their interaction with matter

 R

2R= double distance (neighbour)-(absorbing atom)

t(q) = scattering amplitude of neighbour atom
d = phase shift

Page 67 L. Paolasini - X-rays and their interaction with matter

 EXAMPLE: CdTe NANO-CRYSTALS - I

Te K-edge

Nano-crystals:
1/E3 N=3.55
Only first neighbours
(reduced clusters)

Bulk
N=4
Complex EXAFS structure

Page 68 L. Paolasini - X-rays and their interaction with matter

 SCATTERING AND ABSORPTION CROSS SECTIONS

Photoelectric
absorption
Pair prod.
Cross section (Å )
2

nucl. field
10-5 Coherent sc. elec. field

Incoherent sc.
10-10

32 - Ge hv=2mc2 ~ 2x511 keV

10-15
10-2 100 102 104 106
E (keV)
Page 69 L. Paolasini - X-rays and their interaction with matter
 POLARIZATION DEPENDENT ABSORPTION
Linear dichroism
Produced by the preferential absorption of one of the two orthogonal photon polarization

Linearly oriented polimers

When the electric field is parallel to the
preferential molecular axis, it is absorbed

Circular dichroism
Produced by the preferential absorption of one of the two circular photon polarization

Combination of l/4 and linear polarized filters

have the different effect on circular polarization.
Circular dichroism is found also in chiral
molecules which select only one circular
polarization (ex. sugar)

Page 70 L. Paolasini - X-rays and their interaction with matter

 X-RAYS MAGNETIC CIRCULAR DICHROISM

Quantum description of a a circular polarised z Eigenvalues of

photon beam: angular momentum
= +ħ = -ħ operator Jz
RCP and LCP eigenstates of Jz

The sum rule for the conservation of angular momentum in electronic transition produces a difference in the
absorption of RCP and LCP photons.

Ex.: Dipole electric transitions in Oxigen Zeeman

splitting
(E1)
selection rule: Dl±1
(odd function for coordinate exch.)
Dm=+1 Dm=-1
Transition allowed:
Dm=+1 for RCP
H
Dm=-1 for LCP
+ħ -ħ

Page 71 L. Paolasini - X-rays and their interaction with matter

 X-RAY MAGNETIC CIRCULAR DICROISM
X-ray magnetic dichroism is the difference in the absorption coefficients µ± of left (-) and right (+) circularly
polarized x-rays.

Orbital occupation Spin moment Orbital moment

(linear dichroism)

Page 72 L. Paolasini - X-rays and their interaction with matter

 SINGLE MOLECULE MAGNETS ON FERROMAGNETIC METALS
A. Lodi Rizzini et al., Phys. Rev. Lett. 107, 177205 (2011)

Single molecule magnets are ideal candidates for magnetic data storage
and quantum computing applications.

Element-resolved magnetization
measurements using X-ray magnetic
circular dichroism (soft x-rays)

Tb-complex on Ni metal film

a) Cu(110) substrate -> out-of-plane magnetization
b) Ag(100) substrate -> in-plane magnetization

a) Ni AF to Tb at H=0
H-dependent F or AF coupling
finite remanent magn. up to 100K
square hysteresis loop
b) Frustrated Tb magnetization
zero remanence at H=0

Page 73 L. Paolasini - X-rays and their interaction with matter

 X-rays optical
properties

Page 74 L. Paolasini - X-rays and their interaction with matter

 SCATTERING FROM BOUND ELECTRONS
We suppose the electron be subject to the electric field Ein of an incident X-ray beam and to a damping
term G proportional to the electron velocity ẋ which represents dissipation of energy.

G= damping factor 1/G= core-hole lifetime

ws= resonant frequency ħws= resonant energy

Page 75 L. Paolasini - X-rays and their interaction with matter

 THE CLASSICAL FORCED OSCILLATOR
The amplitude of the forced oscillations:

G= damping factor
ws= resonant frequency

The radiated field Erad is proportional to the acceleration of the electron ẍ(t-R/c) at the detector position R
and at retarded time t’=t-R/c:

Total scattering length

Thomson term Frequency-dependent refraction Absorption correction

(Q dependence) index n(w) (dissipation term)
Page 76 L. Paolasini - X-rays and their interaction with matter
 X-RAY ABSORPTION AND DISPERSION CORRECTIONS

Because the electrons are bound in atoms with discrete energies, a more elaborate model than that of a cloud
of free electrons must be invoked.

The scattering amplitude includes two energy dependent term f’(w) and f”(w) which are called
“dispersion corrections”.

Thomson term Frequency-dependent refraction Absorption correction

(Q dependence) index n(w) (dissipation term)

The absorption cross section sa is a

superposition of oscillators with relative weights,
so-called oscillator strengths, g(ωs), proportional
to σa(ω= ωs).

Page 77 L. Paolasini - X-rays and their interaction with matter

 SCATTERING AND REFRACTIVE INDEX
The existence of resonant scattering terms
arising from the dispersion corrections can therefore be
expected to lead to a frequency dependence of the refractive
index n.

n>1 n<1

For w<<ws => n>1 visible light

For w>>ws => n<1 x-rays

Notice that if w>>ws >>G

Real part of
refractive index

Page 78 L. Paolasini - X-rays and their interaction with matter

 SCATTERING AND REFRACTION INDEX
Scattering and refraction are alternative ways to view the same physical phenomenon.

n= 1- d + ib

atomic number
density

Page 79 L. Paolasini - X-rays and their interaction with matter

 REFRACTIVE INDEX AND ABSORPTION COEFFICIENT µ

X-rays propagating from vacuum to a absorbing medium of thickness Z

I(z) attenuated transmitted wave

µ= absorption coefficient (m-1)

The attenuation length µ-1 is the distance where the intensity of the transmitted beam has dropped to
1/e

The waves amplitude in attenuated (b) and phase shifted (d)

Relation between the absorption and the

refraction index

Page 80 L. Paolasini - X-rays and their interaction with matter

 OPTICAL THEOREM

Taking into account the Thomson dispersion

corrections

Forward direction Q=0

Relation between the imaginary part of anomalous dispersion and the absorption coefficient

And because

Page 81 L. Paolasini - X-rays and their interaction with matter

 REFRACTION: X-RAYS AND VISIBLE LIGHT
Snell law: n1cosa=n2cosa’
Refraction index for X-rays:
n=1-d+ib
d(air)~10-8
d(solids)~10-5
b~10-8<<d

Low focusing power compared

with the visible light

Page 82 L. Paolasini - X-rays and their interaction with matter

 X-RAY FOCUSING MIRRORS
The critical angle for the total reflection

High quality mirrors are required for x-rays focusing and a large radius tangential focusing

Ex: silicon mirror with toroidal shape

ρ sag.
Distance from source p=76m,
Distance mirror object q=26m
q=2.7 mrad ρ tang.
rsagital=27 cm rtang=27 km ρ tang.
ρ sag.

Page 83 L. Paolasini - X-rays and their interaction with matter

 X-RAYS MONOCHROMATORS
The Bragg diffraction from perfect crystals select a wavelength l from the synchrotron radiation
spectrum emitted by bending magnets or undulators
Reflection Transmission

Page 84 L. Paolasini - X-rays and their interaction with matter

 X-RAY SCATTERING METHODS

Spatial informations Structural informations

Absorption Phase
contrast contrast

Page 85 L. Paolasini - X-rays and their interaction with matter

 Thank you for your attention!

Page 86 L. Paolasini - X-rays and their interaction with matter