A Neutron Primer:
Elementary Scattering Processes and the
Properties of the Neutron
Prof. Thomas Brückel
IFF - Institute for Scattering Methods
& RWTH Aachen - Experimental Physics IV c
Neutron Laboratory Course 2009
"Why
Scattering?"
→ Internal structure? (building blocks: atoms, colloidal particles, ...) ?
→ Microscopic dynamics? (atom movements, ...)
⇒ Macroscopic properties (thermal conductivity, elasticity, viscosity, susceptibility, ...)
Scattering
Scattering:
interaction sample ↔ radiation weak
⇒ non-invasive, non destructive probe
for structure & dynamics
Example: High Energy Physics
Wavelength
YBa
2Cu
3O
7Er
6Mn
23Structures on Atomic Length Scale
Thermal motion
Eigenmode
(optical phonon)
Lattice Dynamics
ferromagnet
antiferromagnet
( ) 2
1 2 ..
Q iQr i
i iec
SQ fQe e − ⋅ σ ⋅
∈
= ⋅ ⋅
Spin Dynamics
"Elementary Scattering
Theory"
HADAS
Reflectometer
Scattering Experiment
• Fraunhofer approximation: Ø sample <<
distance source distance detector
λπ
=
=
=
= k k' k' 2
• elastic scattering (diffraction): k
• scattering vector Q=k−k'
θ
− +
=
= Q k2 k'2 2kk'cos2 Q
λπ θ
= 4 sin Q
(I.1) (I.2)
(I.3)
Elastic Scattering
wavelength λ
propagation direction
Schematics: Scattering Process:
• point-like scatterer without internal structure:
→ isotropic emitted wave
„s-wave scattering“
• scatterer with internal structure:
→ anisotropic amplitude distribution in emitted wave
„p, d, … -wave scattering“ (development into spherical harmonics)
sample
detector
Schematics of a Scattering Experiment
n': particles scattered per second into dΩ: solid angle seen by detector
under angle 2θ and into
dE': energy interval between E' and E' + dE'
j: incident beam flux (particles / (area · time))
double differential cross section:
differential cross section: total scattering cross section:
→ scattered intensity
(I.4)
(I.5) (I.6)
Cross Section
2
' '
d d
d d dE dE
σ ∞ σ
−∞
Ω =
∫
Ω 40
d d d
π σ
σ = Ω
∫
Ω2 '
' '
d n
d dE jd dE σ =
Ω Ω
• scattering amplitude:
( ) e d r
V A
A ∝
0⋅ ∫ r ⋅
iQ⋅r 3Fourier Transform!
• scattered intensity:
A2
~ I
→ phase problem
• phase difference:
( )
r
Qk' r k r
CD 2 AB
⋅
= ⋅ − ⋅
= λ
⋅ − π
= ΔΦ
→ Born approximation or "kinematic” scattering theory!
no refraction
v
sno attenuation
single scattering event
Elastic Scattering in Born Approximation
C
A
D r B
k
'k
λ
When can a real beam still be considered as „plane wave“,
i.e. when are interference patterns not significantly destroyed?
→ phase relationship between different components of the beam!
1. Temporal or longitudinal coherence due to wavelength spread:
λ+Δλ
( λ λ )
λ ⎟ + Δ
⎠
⎜ ⎞
⎝ ⎛ −
=
= 2
||
n n 1 l
λ λ
= Δ 2
2
l
||Longitudinal coherence length:
Coherence of the Beam
2. Transversal coherence due to source extension:
θ λ
= Δ
⊥
2
Transversal coherence length: l d θ
( ) θ θ λ = ⋅ ≈ ⋅
d d sin
First minimum for: 2
→ Phase relation destroyed for large source size or large divergence Δθ
Coherence of the Beam
Neglects:
1. Attenuation of incident wave due to scattering 2. Multiple scattering events for
- attenuation of scattered wave
- local amplitude of total wave field
→ good approximation for
- weak scattering potential - small samples
First Born Approximation or Kinematical
Scattering Theory
- neutrons:
first Born approximation (+ multiple scattering corrections) except: strong Bragg peaks from perfect crystals
- x-rays:
cross section ~ 10 x larger than neutrons
→ kinematical theory breaks down rapidly
„Extinction correction“ for Bragg scattering - electrons:
strong Coulomb interaction
→ kinematical theory mostly inapplicable
In Praxi
"Scattering and Correlation
Functions"
( )r e iQ r V
r r d
Q ei r V r d Q
A
I − ⋅
⋅ ∫
∫ ⎜⎝⎛ ⎟⎠⎞
⎟⎠
⎜ ⎞
⎝⎛ 2~ ' ' ' *
~ 3 3
( ) ⋅⎜⎝⎛ − ⎟⎠⎞
=∫∫ ⎟
⎠⎞
⎜⎝
⎛ iQ r r
e r V r V r d r
d '
* ' ' 3
3
( )r eiQ R V
r R V r Rd
d ⋅
∫∫ +
= 3 3 ⎜⎝⎛ ⎟⎠⎞ *
R : r ' r − =
⇒ I Q d R P R e i Q ⋅ R
∫
⎜⎝⎛ ⎟⎠⎞⎟⎠
⎜ ⎞
⎝⎛
~
3( )
⎜⎝⎛ ⎟⎠⎞⎟⎠
⎜ ⎞
⎝⎛
R = ∫ d r V r V r + R
P
3*
"Pair Correlation Function"
Fourier-transform
Patterson-function
( )
iQ r 3S
V r e d r
A c = ⋅ ∫ ⋅
⋅I ~ A
2Born approximation:
Pair Correlation Function
( )
⎜⎝⎛ ⎟⎠⎞⎟⎠
⎜ ⎞
⎝⎛
R = ∫ d r V r V r + R
P
3*
⇒ all difference vectors of original pattern!
(simplest example of correlation function!)
Patterson Function of a Triangle
Patterson function
original pattern
R
"Scattering
from a Crystal"
• 3d lattice of point-like scatterers:
( ) = ∑ ∑ ∑
−⋅ − ⋅ + ⋅ + ⋅
=
−
=
−
=
⎟⎠
⎜ ⎞
⎝
⎛ ⎟
⎠⎞
⎜⎝
1 ⎛
0 1 0
1 0 N
n M m
P p
c p b m a
n r
r
V α δ
• scattering amplitude:
( )
Q /A e(
r(
n a m b p c) )
d rA 3
p , m , n
r Q i
0 = ∑ α
∫
⋅ δ − ⋅ + ⋅ + ⋅∑
∑ α ∑
= −
=
− ⋅
=
− ⋅
=
⋅ P 1
0 p
c Q 1 ip
M 0 m
b Q 1 im
N 0 n
a Q
in e e
e
geometrical series
a
b c
x y z
( )
iQa na Q
in e
e ⋅ = ⋅
Scattering from a 3d-Lattice
• scattered intensity: Laue - function
"Laue function"
0 10 20
30 "Laue" function and
Intensity
Qa
N=5 N=10
0 π 2π
N2
2π/N
( ) ( )
c Q sin
c Q P sin b
Q sin
b Q M sin
a Q sin
a Q N α sin
Q A
~ Q I
21 221 2
12 212 2
21 221 2 2
2
⋅
⋅ ⋅
⋅
⋅ ⋅
⋅
⋅ ⋅
=
N-2 side maxima
Scattering from a 3d-Lattice
• Atomic model of a crystal:
V(r)= ∗ ⋅
basis lattice (δ-functions) cutoff for finite size
Scattering from a Real Crystal
• basis:
• scattering amplitude
(Fourier transform & convolution theorem!):
( )
( ) [ ]
di
i
r r r
ir u a v b w c S
V r
V ( ) ( ) ( ) ⋅
3⎥ ⎥
⎦
⎤
⎢ ⎢
⎣
⎡ − + +
⎥ ∗
⎥
⎦
⎤
⎢ ⎢
⎣
⎡ ∗ −
= ∑ ∑
∞∞
−
δ δ
basis lattice cut-off
• total potential:
( ) ( ( ) ) ( )
dc e i
i
r r r
iS
V Q
A
3. .
...
) ( )
( ∗ ℑ
⎥ ⎥
⎦
⎤
⎢ ⎢
⎣
⎡
⎟ ⎟
⎠
⎞
⎜ ⎜
⎝ ℑ ⎛
⎪⎭ ⋅
⎪ ⎬
⎫
⎪⎩
⎪ ⎨
⎧ ℑ ⋅ ℑ −
= ∑ ∑
∞∞
−
∈
δ δ
structure factor
(Fourier transform of scattering potential in unit cell)
Scattering from a Real Crystal
V
b(r)= ∗δ(r-r
1) + ∗δ(r-r
2)
• Lattice (translational invariance) :
( )
( ) ( ) ( ) ( )
. . , ,
1 2 2 2
h k l e c
r ua vb wc a Q h b Q k c Q l
δ V δ π δ π δ π
∞
−∞
⎛ ⎞
ℑ⎜ − + + ⎟ = ⋅ − ⋅ ⋅ ⋅ − ⋅ ⋅ ⋅ − ⋅
⎝
∑
⎠∑
Structure factor (continuous function) is only observable for discrete positions in reciprocal Q space:
*
*
*
* h a k b l c G
Q = = + + vector of reciprocal lattice
Bragg Condition
G*
k
Ewald sphere
* 2 ; * 0; * 0; ...
a a⋅ = π a b⋅ = a c⋅ =
* 2 ( )
* 2 ( )
* 2 ( )
a b c
a b c b c a
a b c c a b
a b c π
π π
= ⋅ ×
⋅ ×
= ⋅ ×
⋅ ×
= ⋅ ×
⋅ ×
(elastic scattering!) '
' 2 Q k k k k π λ
= −
= =
• Lattice (translational invariance) :
( )
( ) ( ) ( ) ( )
. . , ,
1 2 2 2
h k l e c
r ua vb wc a Q h b Q k c Q l
δ V δ π δ π δ π
∞
−∞
⎛ ⎞
ℑ⎜ − + + ⎟ = ⋅ − ⋅ ⋅ ⋅ − ⋅ ⋅ ⋅ − ⋅
⎝
∑
⎠∑
Structure factor (continuous function) is only observable for discrete positions in reciprocal Q space:
*
*
*
* h a k b l c G
Q = = + + vector of reciprocal lattice
λ π π λ
π λ
θ π
2 2 2
2 2 2
sin = Q 2 = G = d
Braggs law: 2d sin θ = λ
⇒ translational invariance ⇒
Bragg Condition
Q=G*
Θ 2θ k
k´
Ewald sphere
* 2 ; * 0; * 0; ...
a a⋅ = π a b⋅ = a c⋅ =
* 2 ( )
* 2 ( )
* 2 ( )
a b c
a b c b c a
a b c c a b
a b c π
π π
= ⋅ ×
⋅ ×
= ⋅ ×
⋅ ×
= ⋅ ×
⋅ ×
Braggs law: 2d sin θ = λ 2dsinθ θ
θ
lattice planes
Bragg Condition
• single atom: ℑ ( V
i( ) r )
averaged scattering potential = atomic scattering potential ∗ thermal displacement
( V
i( ) r )
ℑ
= atomic formfactor ⋅ temperature- (Debye-Waller-) factor( V
ir ) = ℑ ( V
i( ) r ) ⋅ ℑ ( T
i( ) r )
ℑ ( )
( )
( ) ⎟
⎠
⎜ ⎞
⎝ ⎛−
= ℑ
⎟ ⇒
⎟
⎠
⎞
⎜ ⎜
⎝
⎛ −
⋅
=
2 22 2 22 exp 1
2
2 exp ) 1
( x T r Q
r
T σ
σ πσ
• temperature factor:
1d:
3d: ( ( ) ) ( ) ⎟
⎠
⎜ ⎞
⎝
⎛ − ⋅
=
ℑ
22
exp 1 Q σ
r T
only movement along Q visible
Q
σ
Single Atom Scattering
∫
∫ ⋅
≡
⎜⎝⎛ ⎟⎠⎞⎟⎠
⎜ ⎞
⎝⎛
⎟⎠
⎜ ⎞
⎝⎛
0 0
3 3
j j
V V
'r V r' d
'r Q e i 'r V r' Q d
f
E.g.: homogeneous sphere:
( )
⎪⎩
⎪⎨
⎧
≤
= >
R r
R r r
V 1
0
( ) ⋅ = ∫ ⋅
∫ R
Qr Qr r
r dr Q e i r V r
d 0
2 sin 4 π
spherical co-ordinates
( ) ( )
QR 3QR cos QR
QR 3 sin
Q
f = ⋅ − ⋅
⇒
Form-Factor
·
2θ2R
QR
form factor f(Q) homogeneous
spherical particle
QR
form factor f(Q) homogeneous
spherical particle
≡ Fourier-transform of scattering potential within the elementary cell:
( ) ( )
12( )
2. .
Q iQ ri
i i e c
S Q f Q e
− ⋅σe
⋅∈
= ∑ ⋅ ⋅
Structure Factor
( ) ( ( ) ) ( )
dc e i
i
r r r
iS
V Q
A
3. .
...
) ( )
( ∗ ℑ
⎥ ⎥
⎦
⎤
⎢ ⎢
⎣
⎡
⎟ ⎟
⎠
⎞
⎜ ⎜
⎝ ℑ ⎛
⎪⎭ ⋅
⎪ ⎬
⎫
⎪⎩
⎪ ⎨
⎧ ℑ ⋅ ℑ −
= ∑ ∑
∞∞
−
∈
δ δ
structure factor
(Fourier transform of scattering potential in unit cell)
( ) Cw Cw Bv
Bv Au
ABC Au S
dπ π π
π π
π ) sin( ) sin( )
3
= ⋅ sin( ⋅ ⋅
ℑ
A B
C
⇒ sharp Bragg condition smeared out by finite crystal size or finite size of coherent regions
Finite crystal size
( ) ( ( ) ) ( )
dc e i
i
r r r
iS
V Q
A
3. .
...
) ( )
( ∗ ℑ
⎥ ⎥
⎦
⎤
⎢ ⎢
⎣
⎡
⎟ ⎟
⎠
⎞
⎜ ⎜
⎝ ℑ ⎛
⎪⎭ ⋅
⎪ ⎬
⎫
⎪⎩
⎪ ⎨
⎧ ℑ ⋅ ℑ −
= ∑ ∑
∞∞
−
∈
δ
δ
• position of Bragg peaks in reciprocal lattice ⇒ unit cell metric
• extinction rules ⇒ symmetry elements with translational component (centering, screw axis,…) in the unit cell
• width of Bragg peaks determined by - instrumental resolution
- size of coherently scattering regions - mosaic structure of imperfect crystals
• intensity of Bragg peaks - atom species
- temperature movement - position within unit cell
( ) ( )
12( )
2. .
Q iQ ri
i i e c
S Q f Q e
− ⋅σe
⋅∈
= ∑ ⋅ ⋅
Bragg Scattering from Real Crystal
Questions?
"Properties
of the Neutron"
Hadrons Mesons (2 Quarks)
Baryons (3 Quarks) Proton
Neutron Nucleons Neutron:
decay of free neutron:
bound state of 3 Quarks:
ν + +
⎯
⎯ →
⎯ p e
−n
son interracti weak
889
mass ≈ 1 u (1.675 · 10
-24g)
charge 0
spin 1/2
⇒ magnetic dipolar moment
N
n
µ
µ = − γ ⋅ ; γ = 1 . 913
p
N
m
µ e
2
= h d
gluon
10
-15m (1 fm)
“nuclear magneton”
Neutron
five orders of magnitude smaller than an atom !
d
u
• matter wave (de Broglie):
momentum energy
; p / p m v= ⋅ =hk =h λ
2 2 2
2 2
1
2 2k 2h B eq
E mv k T
m mλ
= = h = ≡
in practical units:
[ ] [ ] [
meV]
0.[ ]
818nmE
s / m v400 nm
λ2
=
= λ
Example: “thermal neutrons”
Teq = 300 K E = 25 meV ≈ ΔE elementary excitations.
λ = 0.18 nm ≈ d atoms v = 2 200 m/s
Charge: (-0.4±1.1)·10-21 e ; Magnetic monopole moment: (0.85 ± 2.2)·10-20 e/2α Electric dipole moment: (-0.1 ± 0.36)·10-25 e·cm
Neutron
"Neutron Matter
Interaction: Nuclear
Interaction"
First Born Approximation: 2 2
|
|
|'
2 ⎟ | < >
⎠
⎜ ⎞
⎝
= ⎛
Ω m k V k
d d
π h σ
• strong interaction n ↔ nucleus
• magnetic dipole-interaction with B-field of unpaired e- major
• magnetic dipole-interaction with - E-field of nuclei and e-
- magnetic dipole moment of nucleus
observable (relativistic correction)
?
V r e d r r d e r V er Q i
r k i r
k i
3 3 '
) (
) (
⋅
−
−
∫
∫
⋅
=
Neutron-Matter-Interaction
… bound nucleus → no recoil !
● phenomenological approach:
- range of strong interaction: ≈ 10-14 m (∅ nucleus) - wavelength of thermal neutrons: ≈ 10-10 m (1 Å)
⇒ isotropic s-wave scattering (L = 0), elastic
⇒ Fermi-Pseudo-Potential:
) 2 (
) (
2
R r
m b r
V = π h δ −
|
2| b d
d =
Ω σ σ = 4 π | b |
2Nuclear Interaction
● nucleon - nucleus - interaction : complex ! Hadron - physics ( COSY )
● First Born approximation (applicable?):
Scattering Cross Sections
σcoh [barn]
0.66
H
1.7624
C
5.55416
Mn
1.75450
Fe
11.22522
Ni
13.301408
Pd
4.392986
Ho
8.065631
U
8.90x 10-1 σcoh[barn]
1 2
58 60 62
x-ray neutrons
1 6 25 26 28
46 67
92
element
Z
1 barn = 10-28m2
outside:
inside:
2 mE k 2
= h
( )
2 V0 E m q 2
h
= +
eikr fr r k ei ) r
( = +
Ψ scattering amplitude
0 ) R ( = Ψ
hard sphere:
⇒ b: = - f = R
Potential Scattering
Bound state (standing wave)
Compound nucleus ) 2
1 N 2 ( R
q⋅ ≈ + ⋅π
2 2i R 1 E E
const R
2 =4π + − + Γ σ
Breit-Wigner Formula
→ strong energy dependence
→ imaginary part (neutron capture)
→ negative scattering length
Compare anomalous x-ray scattering:
n+K→C*→K+n
simplified potential well picture (shell model etc.) :
Resonance Scattering
due to nuclear reactions. Off resonance:
a
1 v
~
~ λ σ
Examples:
σa (25 meV) [barn]
5333 n + 3He → 4He* → p + 3T 940 n + 6Li → 7Li* → 3T + 4He
3837 n + 10B → 11B* → 4He + 7Li + γ 681 n + 235U → fission
neutron detection
(n, γ)-resonances:
nucleide σγ[barn] Eresonance[meV]
113Cd 20600 178
151Eu 9200 321
155Gd 60900 26.8
157Gd 254000 31.4
λ = 1.6 Å (compare photoel.
abs. of x-rays!)
Fermi Golden rule:
f 2
O ρ i σ ∝
Absorption Processes
Neutron Cross Sections Vol. II D.I. Garber, R.R. Kinsey
Jan. 1976; BNL Report
48
Cd
Data Bases
λ = 0,2 Å σ ~ 8 barn λ = 0,64 Å
σ ~ 20 kbarn
Arrangement of atomswith scattering length bion fixed positons Ri
• scattering potential:
• scattering amplitude:
• scattering cross section:
↑ averageovertherandomdistribution↑
(
Ri R j)
Q i
i j bibj e −
= ∑ ∑ *
( )
⎪⎩
⎪⎨
⎧
=
− +
=
≠
= =
j i b
b b
b
j i b
b b b
bi j 2 2 2
2
(
b− b)
2 = b2 −2b b + b 2 = b2 − b 2Coherent and Incoherent Scattering
( ) 2
2 i(
i)
n i
V r b r R
m
π δ
= h ∑ −
( )
i iQ Rii
A Q = ∑ b e
⋅( ) ( )
2 i iQ Ri *j iQ Rji j
d Q A Q b e b e
d
σ
⋅ − ⋅= = ⋅
Ω ∑ ∑
( )
( )
2 2
2
" "
" "
iQ Ri
i
d Q b e coherent
d
N b b incoherent
σ = ⋅
Ω
+ −
∑
scattering from the regular mean lattice
Interference
+
scattering from randomly distributed defects isotropic scattering +
k
k‘
N x
crystal with two isotopes: , N atoms.
Schematic Illustration
example:
Nickel: 28Ni
isotope abundance nuclear spin scattering length [fm]
58Ni ≈ 68 % 0 14.4 ←
60Ni ≈ 26 % 0 2.8 ←
(61Ni ≈ 1 % 3/2 7.6)
62Ni ≈ 4 % 0 -8.7 ←
(64Ni ≈ 1 % 0 -0.4)
( )
[ ]
fm fmb ≈ 0.68⋅14.4+0.26⋅2.8+0.04⋅ −8.7 ≈10.2
4 b
2 coherentπ
σ =
⇒
≈13.1barn( ) ( )
[ ( ) ]
fm barnisotope
incoherent = 4π 0.68⋅ 14.4−10.2 2 +0.26⋅ 2.8−10.2 2+0.04⋅ −8.7−10.2 2 2 ≈5.1 σ
barn barn
incohisot coherent
1 . 5
; 1
. 13
. .
≈
=
σ σ
Isotope-Incoherence
example: Hydrogen: 1H
⎩⎨
= ⎧
±
=
+ 0 singlet
triplet 1
2 I 1 J : n H spin Total
⇒ + =
+ =
− =
−
− =
⎪⎭
⎪⎬
⎫
4
; 3 85 . 10
4
; 1 5 . 47
c fm b
c fm b
( ) ( )
fm fmb 10.85 3.74
4 5 3 . 4 47
1 − + ⋅ = −
= ⎥⎦⎤
⎢⎣⎡
barn 76
. 2 1
b
coherent =4π =
σ
⇒
( ) (
10.85 3.74)
2 fm24 2 3 74 . 3 5 . 4 47
4 1
incoherentnuclear spin ⎥⎦⎤
⎢⎣⎡ − + + +
π
= σ
barn 2
.
=80
barn 2
. 80
; barn 76
. 1
spin nuclear
. incoh coherent
≈ σ
≈ σ
glue!
Diffusion of hydrogen
Nuclear Spin Incoherence
2D Deuterium 1
with nuclear spin 1:
barn 1
. 2 barn
6 .
5 inc.
.
coh ≈ σ ≈
σ
contrast variation by isotope substitution:
fm b
fm
bH = −3.74 ; D = 6.67
• Example: vanadium 23V
barn 08
. 5
; barn 02
.
0 nuclearincoh. spin
.
coh ≈ σ ≈
σ
Isotope Natural abundance Nuclear spin Scattering length [fm]
( 50V 0.25 % 6 7.6 )
51V 99.75 % 7/2 -0.40 ⇐
calibration standard;
sample container
Deuterium
Example:
Core-Shell micelle in solution
"Neutron Matter
Interaction: Magnetic
Interaction"
magnetic moment of the neutron:
⋅σ γμ
−
=
μn N
magnetic field of the electron:
L
S B
B
B = +
dipolar field of the spin moment: ; 2 S
R R
B x e B
e 3
S ⎟⎟⎠ μ = − μ ⋅
⎜⎜ ⎞
⎝
×⎛ μ
∇
=
field due to the movement of the electron (Biot-Savart): L e 3 R
R v
c
B = −e × n
B
m
= − μ ⋅ V
Zeeman energy:
Magnetic Interaction Potential
e
-v
eμ
eR
B μ
nn
σz Vm k
σz‘ k‘
z 2 m
z 2
n2 k' ' k
2 m d
d ⎟⎟⎠ σ σ
⎜⎜ ⎞
⎝
⎛
= π Ω
σ V
h
( )
z( )
z 2B
0 2 ' M Q
2 r 1
d
d σ ⋅ σ
− μ γ
Ω = σ
σ ⊥
cm 10
539 . 0
r0 = ⋅ −12 γ
→"equivalent scattering length" for 1 µB (S=
2
1): 2.696 fm ≈ bco
( )
Q Qˆ M( )
Q QˆM⊥ = × ×
( )
Q = ∫M( )
r e ⋅ d rM iQ r 3
( )
r M( )
r M( )
rM = S + L
( )
= − μ ⋅( )
= − μ ∑δ(
−)
i i i
B B
S r 2 S r 2 r r S
M
1. Born approximation
Magnetic Scattering Cross Section
Q k‘
M
k
M⊥
( ) Q Qˆ M Qˆ
M
⊥= × ×
Illustration: scattering from the dipolar field
Only the component of the magnetisation perpendicular to the scattering vector gives rise to magnetic scattering!
M || Q M
Q
Planes with equal phase factor
M⊥Q M
Q
Directional Dependence
Ri rik
tik Sik
Si
Atom i
Separation of intra-atomic quantities for localised moments:
( )
= − μ ∑δ(
−)
⋅ +=
ik ik ik
S B i ik
ik R t ; M r 2 r r s
r
( )
Q = ∫ M( )
r e ⋅ d rM S iQ r 3
∑ ∑ ⋅
∑ =
= ⋅ ⋅ ⋅
i iQR k iQ t ik ik ik
r Q
i s e e s
e i i ik
Expectation value of the operator for the thermodynamic state of the sample:
Pure Spin Scattering
pure organic FM p-O2N·C6F4·CNSSN:
( )
0 2 m( )
i iQ Ri 2i
d r f Q S e
d
σ = γ ⊥
Ω
∑
( ) ( )
iQ r 3m s
Atom
f Q =
∫
ρ r e ⋅ d r( )
2 B m( )
iQ Ri iM Q = − μ ⋅ f Q ⋅
∑
e ⋅ ⋅S0.0 0.2 0.4 0.6 0.8 1.0
0.0 0.2 0.4 0.6 0.8 1.0
normalized form factor
sin(Θ/λ)
nuclear scattering
orbital
x-ray
spin
Chromium
0.0 0.2 0.4 0.6 0.8 1.0
sin(Θ/λ)
Q || b Q || a
a b
form factor
in general anisotropic:
Form Factor: Spin, Orbit, Anisotropy
M(r)
λ
F
Orbital and Spin Formfactor
+
v e- B
B
re r
+
s e-
B
re r
Bohr orbit
magnetic field distribution due to
Orbital angular momentum Spin angular momentum
Summary
• Scattering amplitude:
(1st Born approximation)
• Intensity:
• Pair correlation function:
(Patterson function)
( )
e d r VA
A∝ 0⋅
∫
r ⋅ iQ⋅r 3( ) phase problem2
d A Q
I d σ Ω
⇒ I Q d R P R eiQ ⋅R
∫ ⎜⎝⎛ ⎟⎠⎞
⎟⎠
⎜ ⎞
⎝⎛ ~ 3
( ) ⎜⎝⎛ ⎟⎠⎞
⎟⎠
⎜ ⎞
⎝⎛R = ∫ d r V r V r + R
P 3 *
Fourier transform!
( ) ( )
c Q sin
c Q P sin b
Q sin
b Q M sin a
Q sin
a Q N α sin
Q A
~ Q I
12 221 2 12
221 2 21
221 2 2
2
⋅
⋅ ⋅
⋅
⋅ ⋅
⋅
⋅ ⋅
• Laue function:
=(3d lattice)
• Bragg condition:
• Structure factor:
• Fermi pseudo potential:
• Absorption:
• Coherent & incoh.:
• magnetic cross section:
*
*
*
* ha kb lc G
Q = = + + 2dsinθ = λ ( ) ( ) 12 ( )2
. .
Q iQ ri
i i e c
S Q f Q e− ⋅σ e ⋅
∈
= ∑ ⋅ ⋅
) 2 (
) (
2
R r m b
r
V = πh δ −
a 1v
~
~λ σ
( ) 2 iQ Ri 2 ( )2
i
d Q b e N b b
d
σ = ⋅ + −
Ω ∑
( ) z ( ) z 2
B
0 2 ' M Q
2 r 1
d
d σ ⋅ σ
− μ γ
Ω = σ
σ ⊥
scattering length b