Introduction to Reciprocal

Space
7th X-ray Scattering School
Apurva Mehta
 Scattering Physics

sample image
light
lens

Math

Q = 4p sin(q) /l

Sample Scattering
Angular Image
Space Space Space
Space

Can we create the image without a lens?

 Lensless Imaging

sample image
light

Scattering Pattern
lens

Sample Scattering
Angular
Space Space
Space
 Scattering Physics
Elastic Scattering  |Ki| = |Ks|

Ks DK = Q = momentum
transfer
2q
Ki
momentum Ki

DK = Q = 2*Ki * sin(q) Ki = 2p/l

Q = 4psin(q)/l
 Lensless Imaging
Measured in
Q = 4p sin(q) /l

sample image
light

Scattering Pattern
lens

Sample Scattering
Space Space
Bragg’s Law
 Bragg’s Law
Q has magnitude and direction Proposed in 1912-1913
Nobel Price in Physics - 1915

2dsin(q) = l
Q = 4psin(q)/l Q = 4psin(q)/l =2p/d

Q =2p/d
|Q| =2p/d
2014 - International year of Crystallography
 Bragg’s Law Tells Us

• About the Position of the scattering peaks

• But not the Direction

• And not its Intensity

• Nor its Width

Need to go beyond Bragg’s Law

Bragg Planes
Bragg Planes
|Q| =2p/d
Bragg Planes
|Q| =2p/d
Reciprocal Lattice
|Q| =2p/d
 Scattering Physics
Measured in
Measured in Q = 4p sin(q) /l
Q = 4p sin(q) /l

sample image
light

Scattering Pattern
lens

Scattering
Sample
Space
Space

Real Space Lattice Reciprocal (Space) Lattice

 Scattering Physics
• Reciprical Lattice Points Measured in
Q = 4p sin(q) /l

– Have Position
sample image
light
– Direction lens

– Intensity

– Width

Real Space Lattice Reciprocal (Space) Lattice

 Scattering Physics
Fourier Transform

sample image
light
lens

Real Space Lattice Reciprocal (Space) Lattice

 Reciprocal Space
Real Space
 Recap
Reciprocal Real
Real
Space Space
Space
FT FT

• 1: FT (FT (S) ) ~ S

• 2: FT (large) ~ 1/large  small

– Rec Sp (large)  small

• 3: FT (periodic fn) ~ periodic

– Rec Sp (periodic Real Sp) ~ periodic
Sailing Through Reciprocal Space
 Scattering from a Single Crystal
Elastic
Scattering Reciprocal
Lattice

QD Q1

Q0

Ewald’s
Sphere

19
Multi-circle diffractometer
•Need at least
•2 angles for the sample
•1 for the detector

•But often more for ease,

polarization control,
environmental chambers

•New Diffractometer @7-2

•4 angles for the sample
•2 for the detector
Scattering Pattern and Ewald’s Sphere

Ewald’s
Sphere
 2D detectors and Ewald Sphere
Elastic Reciprocal
Scattering Lattice

QD Q1

Q0

Ewald’s
Sphere

22
Scattering from Many Crystallites
:polycrystal or powder

Ewald’s
Sphere Reciprocal
Sphere
Q1
Powder Diffraction Pattern

Ewald Sphere Q

QD Nested
Reciprocal
Sphere

Q0

24
 Powder Diffractometer
with an Area Detector
Detector

X-ray Beam

Sample
 Diffraction from Polycrystals

311

220

200

111

Ewald’s sphere

Diffraction Pattern

Nested Reciprocal
Spheres
 Condition for
Polycrystalline/powder Diffraction
• Just 1 angle (detector)

• If large area detector

 0 angles
• Nothing moves
– Very useful for
fast/time dependent
measurements
 Texture
Oriented Diffraction pattern
Polycrystals

Ewald’s sphere Partially filled

Reciprocal Sphere
Partial diffraction ring
 Deformation of Reciprocal sphere

Strain Ellipsoid

Zurich 2008 29
 Strain Ellipsoid

•small strain
•continuous strain

30
 Coordinate transformation

Q Q
χ
c Q0
χ
s s

31
 Measuring Full Strain Tensor

110 200 211

c c c

Q (nm-1) Q (nm-1) Q (nm-1)

Zurich 2008 32
 Elastic
e
Strain Tensors for Fe
zz

eyy

110 Em = 211 GPa 200 Em = 167 GPa 211 Em = 218 GPa

400 1

shear
300

Poisson’s Ratio
Stress (MPa)

200

0.3
100 ezz eyy

0 0
-.10 .05 0 .05 .10 .15 .20 .25 0 Stress (MPa) 400
% Strain
 Resolution
Area Detector Point Detector
Questions?

• Think in Q space
– (yardstick of
reciprocal space)
– Q = 4p sin(q) /l
Effect of Beam Divergence
Effect of Energy Width