X-Ray Interaction with Matter:

Absorption, Scattering
and Diffraction
David Attwood

University of California, Berkeley

(http://www.coe.berkeley.edu/AST/srms)

X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007
 Basic Ionization and Emission
Processes in Isolated Atoms
(a) Electron collision induced ionization (b) Photoionization
Scattered
primary Photoelectron
′)
electron (Ep (E = ω – EB)
Primary e– e–
electron Photon
(Ep) e– e– (ω)
+Ze +Ze
K Secondary K
L electron (Es) L

M M

(c) Fluorescent emission of characteristic radiation (d) Non-radiative Auger process

e–

ω KLL Auger
electron

+Ze +Ze
K K
L L

M M

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch01_F02VG.ai
 Electron Binding Energies, in Electron Volts
(eV), for the elements in their Natural Forms

www.cxro.LBL.gov

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 ApxB_1_47_Jan07_lec2.ai
 Fluorescence and Auger Emission Yields

1.0
0.9
Fluorescence and Auger yields K-shell
0.8
K-shell fluorescence
0.7 Auger L3-subshell
0.6 Auger
0.5
0.4
0.3
L3-subshell
0.2 fluorescence
0.1
0
0 20 40 60 80 100
Atomic number

(Courtesy of M. Krause, Oak Ridge)

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch01_F03VG_2005.ai
 Electron Mean Free Paths As a Function of Energy

(a) 4 (c)

3 Al
100
2
Mean free path (nm)

0 10
(b) 4

3 Au

2 1

0 0 0.1
10 101 102 103 104 1 10 100 1000
Energy above Fermi level (eV)

Courtesy of: Penn (a & b), Seah and Dench (c)

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch01_F05VG.ai
 Photoabsorption by Thin Foils and Isolated Atoms

(a) (b) 106

ρ Cu foil

 cm2 105 I = e–ρµx

 g  I0
Ι0 Ι(x)
104
ω ω
(e)
103
Ι0
x 10 2 Exponential
10 100 1000 decay (e–ρµx)

Intensity
Photon energy (eV)
(c) (d) 100
na Cu atom
σabs Distance, x
 Mb 10
atom
Ι0 Ι(x) 3p 3d
ω ω 1
2p
3s
0.1 4s
2s I = e–naσabsx
x I0
0.01
10 100 1000
Photon energy (eV)

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch01_F08VG_Aug05.ai
 Atomic Energy Levels and
Allowed Transitions in the Bohr Atom

Equate Coulomb Force Ze2/4π0r2 to the centripetal force mv2/r:

mZ 2 e 4 1
En = (1.4)
32π 2 20 2 n 2

4π0  2
rn = · n2 (1.5)
me 2 Z
me 4  1 – 1  Z2
ω = Ei – Ef = (1.6)
32π 2 0  2  n f2 n 2i 






13.6 eV
a0n2
rn = ; a0 = 0.529 Å (1.9)
Z

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch01_Eqs4_5_6_9VG.ai
 Quantum Mechanics Based
on a Probabilistic Wave Function, Ψ(r, t)

2 2 ∂Ψ(r, t)
– ∇ Ψ(r, t) + V(r, t)Ψ(r, t) = i (1.10)
2m ∂t

P(r, t)dr = Ψ ∗ (r, t) Ψ(r, t)dr (1.13)

r= rP(r, t)dr =  Ψ ∗ (r, t)rΨ(r, t)dr (1.15)

quantum numbers: n, , m, ms

selection rules for allowed transitions: ∆ = ± 1
∆j = 0, ± 1

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch01_Eqs10_13_15VG.ai
 Radiative Decay Involves An Atom
Oscillating Between Two Stationary States
at the Frequency if = (Ei – Ef) / 
Oscillation amplitude

Probability
Lower state

Time
Upper state
0
Time

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch01_F09VG.ai
 Probabilistic Radial Charge Distribution (e/Å)
in the Argon Atom

20
1s

Radial charge density distribution

2p
15

10

2s
5 3p

3s

0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0

Normalized radius, r/a0
Courtesy of Eisberg and Resnick, Quantum Physics of Atoms, Molecules, Solids, Nuclei, and Particles.

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch01_F12VG.ai
 Energy Levels, Quantum Numbers, and
Allowed Transitions for the Copper Atom
n  j Absorption edges
N for copper (Z = 29):
4 3 7/2 . VII 4f7/2
.
4. 3. 5/2
.
.. .. .. N N
.. IV 4d3/2
4 0 1/2 NI 4s EN1, abs = 7.7 eV
M α1

3 2 5/2 MV 3d5/2 .
3 2 3/2 MIV 3d3/2 .
3 1 3/2 M MIII 3p3/2 EM3, abs = 75 eV
3 1 1/2 MII 3p1/2 .
3 0 1/2 MI 3s EM1, abs = 123 eV
Lα1 Lα2 Lβ2

2 1 3/2 LIII 2p3/2 EL3, abs = 933 eV

2 1 1/2 L LII 2p1/2 EL2, abs = 952 eV
2 0 1/2 LI 2s EL1, abs = 1,097 eV
Kβ1 Kβ3 Kγ
3
Kα1 Kα2

1 0 1/2 K K 1s EK, abs = 8,979 eV

(1.381Å)
Cu Kα1 = 8,048 eV (1.541Å) Cu Lα1 = 930 eV
Cu Kα2 = 8,028 eV (1.544Å) Cu Lα2 = 930 eV
Cu Kβ1 = 8,905 eV Cu Lβ1 = 950 eV
Professor David Attwood
Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch01_F11VG_Jan07.ai
 Scattering, Diffraction, and Refraction
(a) Isotropic scattering from a point object (b) Non-isotropic scattering from a partially
ordered system

λ λ

(c) Diffraction by an ordered array of atoms, (d) Diffraction from a well-defined geometric
as in a crystal structure, such as a pinhole

λ
λ D
θ θ null
d
θ

θ null = 1.22λ
d

mλ = 2d sinθ

(e) Refraction at an interface (f) Total external reflection

λ
λ
θ<θ c

n = 1–δ+iβ
n=1 n = 1–δ+iβ

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch01_F13VG.ai
 Chapter 2
RADIATION AND SCATTERING
AT EUV AND SOFT
X-RAY WAVELENGTHS
a
Θ sin2Θ

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch02_F00VG.ai
 Maxwell’s Equations and the Wave Equation

Maxwell’s equations:

(2.1)

(2.2)

(2.3)

(2.4)

(2.5)

(2.6)

The wave equation:

(3.1)

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch02_Maxwls_WavEqs.ai
 Scattering, Refraction, and Reflection

Single scatterer, Many atoms, each

electron or atom, with many electrons,
in vacuum. constituting a “material”.
(Chapter 2) (Chapter 3)

n = 1– δ + β

n=1

λ
λ

• How are scattering, refraction, and reflection related?

• How do these differ for amorphous and ordered (crystalline) materials?
• What is the role of forward scattering?

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch02_ScatRefrReflc.ai
 Maxwell’s Equations

Wave Equation
) (in
uum am
v ac r 2) (C
ha
ate
ria
(in apte pte l)
h r3
(C )
Radiation by a single electron (“dipole Refractive index with many atoms
radiation”) present
Scattering cross-sections Role of forward scattering
Scattering by a free electron (“Thomson Contributions to refractive index by
scattering”) bound electrons
Scattering by a single bound electron Refractive index for soft x-rays and EUV
(“Rayleigh scattering”) n = 1 – δ + iβ (δ, β << 1)
Scattering by a multi-electron atom
f0′ f0′′
Atomic “scattering factors”, f0′ and f0′′
Determining f0′ and f0′′ ; measurements
and Kramers-Kronig
Total external reflection
Reflectivity vs. angle
Brewster’s angle
Professor David Attwood
Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch02_Eqs_1VG.ai
 Atomic Scattering Factors
for Silicon (Z = 14)

σa(barns/atom) = µ(cm2/g) × 46.64 Silicon (Si)

E(keV)µ(cm2/g) = f20 × 1498.22 Z = 14
Atomic weight = 28.086
Energy (eV) f10 f20 µ(cm2/g)
30 3.799 3.734E–01 1.865E+04 15
70 2.448 5.701E–01 1.220E+04
100 –5.657 4.580E+00 6.862E+04 10
300 12.00 6.439E+00 3.216E+04
700 13.31 1.951E+00 4.175E+03 f10 5
1000 13.00 1.070E+00 1.602E+03 0
3000 14.23 1.961E+00 9.792E+02
7000 14.33 4.240E–01 9.075E+01 –5
10000 14.28 2.135E–01 3.199E+01
–10
30000 14.02 2.285E–02 1.141E+00 10 100 1000 10000
7
10
101
105
100
µ(cm2/g)

103 f20

1 10–1
10

10–1 10–2
10 100 1000 10000 10 100 1000 10000
E (eV) E (eV)
Edge Energies: K 1838.9 eV L1 149.7 eV
L2 99.8 eV
L3 99.2 eV

(Henke and Gullikson; www-cxro.LBL.gov)

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch02ApC_Tb1F07_9.05.ai
 Chapter 3
WAVE PROPAGATION AND REFRACTIVE INDEX
AT EUV AND SOFT X-RAY WAVELENGTHS
k′
n = 1 – δ + iβ
n=1 φ
k
k′′

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch03_F00VG.ai
 Multilayer Mirrors Satisfy the Bragg Condition

mλ = 2d sinθ
ne
Mo
Si
Mo
d Si
Mo
Si
Mo
Si
θ
λ
For normal incidence, θ = π/2, first order (m = 1) reflection
λ = 2d
d = λ/2
if the two layers are approximately equal
∆t  λ/4
a quarter-wave plate coating.

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch04_MltlyrMirBragg1.ai
 Scattering by Density Variations
Within a Multilayer Coating

Mo/Si

(T. Nguyen, CXRO/LBNL)

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch04_F01_Sept05.ai
 Multilayer Mirrors Have Achieved 70% Reflectivity

0.8
Mo/B4C/Si
0.7
70% at 13.5 nm
0.6 FWHM = 0.55 nm
50 bilayers
0.5
Reflectivity

0.4
0.3
0.2
0.1
0.0
12.0 12.5 13.0 13.5 14.0 14.5
Wavelength (nm)
ˇ Bajt, LLNL.
Courtesy of Sasa
Extreme Ultraviolet Lithography

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 Ch04_MltlyrMirReflc.ai
 The Derivation of Bragg’s Law

mλ = 2d sinθ

mλ
The path difference of
radiation “reflecting”
θ θ off sequential planes
must be equal to an
interger number of
θ d wavelengths.

The angle θ is measured from the crystal plane, and the

distance between planes is referred to as the “d-spacing”.

From A.H. Compton and S.K. Allison, X-Rays in Theory and Experiment (D.Van Nostrand, New York, 1926), p.29.
Also see M. Siegbahn, The Spectroscopy of X-Rays (Oxford University Press, London, 1925), p.16.

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 DerivationBraggsLaw.ai
 Bragg Scattering, or Diffraction,
Seen as a Reflection from Crystal Planes

θ θ

θ θ
d

ds

inθ
inθ

ds

Constructive interference occurs when the additional path length is equal

to an integral number of wavelengths:
(Bragg’s Law)
mλ = 2d sinθ (m = 1, 2, . . . )
R.B. Leighton, Principles of Modern Physics (McGraw-Hill, New York, 1959), section 12.4.
Professor David Attwood
Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 BraggScattDiffrac.ai
 X-Rays are Refracted Entering a Crystal

Refraction of x-rays at a crystal surface requires

a small correction to the Bragg condition:
4δd 2
mλ = 2d sinθ (1 – 2 2 )
m λ

θ θ
λ d

θ θ

R.B. Leighton, Principles of Modern Physics (McGraw-Hill, New York, 1959), p. 456.

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 XRsRefracEnterCrystal.ai
 Face-Centered Cubic Crystal Structure

Primitive vectors:
z a = ai, b = aj, c = ak

Coordinates of atoms
4 8 within unit cell:
1: (0,0,0)
Crystal a(Å) 2: (0,0,a/2)
Rocksalt Na Cl 5.64 3: (a/2,0,a/2)
Sylvine K Cl 6.28 2 4: (a/2,0,a)
Ag Cl 5.54 3 7 5: (a/2,a/2,0)
6 6: (a/2,a/2,a/2)
Mg O 4.20 a
Galena Pb S 5.97 7: (0,a/2,a/2)
Pb Se 6.14 d 1 8: (0,a/2,a)
Pb Te 6.34 y
5
x Nearest neighbor
distance d = a/2

From R.B. Leighton, Principles of Modern Physics (McGraw-Hill, New York, 1959), section 12.4.

Professor David Attwood

Univ. California, Berkeley X-Ray Interaction with Matter, Scattering and Diffraction, EE290F, 18 Jan 2007 FaceCenterCubicrCrystal.ai
 Diffraction of Polychromatic X-Rays from the
Various Bragg Planes of a Given Crystal

Each reflection results in

monochromatic x-rays in the
given direction – the basics
for a crystal monochromator.
F.K. Richtmyer, E.H. Kennard, and T. Lauritsen Introduction to Modern
Physics (McGraw-Hill, New York, 1955), chapter 8.
Professor David Attwood
Univ. California, Berkeley X-Ray Interaction with Matter: Absorption, Scattering and Diffraction, EE290F, 18 Jan 2007 DiffracPolychromXRs.ai