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Crystal Structure - Part-A

CRYSTAL

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0% found this document useful (0 votes)
27 views24 pages

Crystal Structure - Part-A

CRYSTAL

Uploaded by

Talha Ejaz
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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Course no:508: BSc.

(Hons)

SOLID STATE
PHYSICS
Dr. Syed Rizwan Ali

DEPARTMENT OF PHYSICS, UNIVERSITY OF KARACHI

Course Outline
 Crystal Structure
Lattice, Basis, lattice vectors, Types of lattices,
atomic packing densities, symmetry, some
important crustal structures, diamond structure,
ZnS structure, Graphite, Graphene etc.
 Crystal Diffraction
Braggs law and X-Ray diffraction, Laue equations,
Ewald`s construction, reciprocal lattice, Brillion
Zone, Structure factor, Atomic form factor.

 Crystal Bonding
Binding forces between atoms, Ionic bonds,
2
Covalent bonds, Van der Waals bonds

1
Course Outline
 Imperfections in solids
Point defects: Vacancy, Schottky, Interstitial,
Frankel defects, Edge and Screw dislocations,
Grain boundaries, Stacking faults and twin
boundaries.
 Lattice dynamics
Vibration of one-dimensional mono as well as
diatomic lattices, vibrational modes.
 Theories of Solids
Classical theory, Sommerfeld model, Fermi Dirac
statistics, band theory, Bloch theorem, Kroning-
penny model. 3

Assessment Plan
ASSESSMENT TASK DUE

1 1st Sessional After %


%
2 2nd Sessional After %
%
3 Assignments As %
announced
4 Terminal Exam End of %
semester

The distribution of weightage is subject to


modification on an as-needed basis.
4

2
Please note
 ASSIGNMENTS
 Assignments should be submitted only on Google
classroom. Assignments may include, activities, homework
problems, text readings, internet resources etc.

 EXAMS
 There will be two sessional and a final exam.
 Exams will be based on the assigned homework problems,
assigned readings and lecture notes.

 BE HONEST
 Students are encouraged to discuss the lectures and
assignment problems together.
 Students are not allowed to copy each others work.

All your writings are subject to TURNITIN-check.

Activity: Play with your new Lego Set !

3
Activity-4 : THE PERIODIC TABLE OF ELEMENTS
Reading and learning
1. Look at the periodic table and read its basic features from literature.
2. Identify some elements which are solids under ambient conditions.
3. Note down few technologically relevant elements (e.g., C, Si, Ge, Fe, Cr,
Co, Ni, Mn etc.) and find their crystal structures. [Hint: you can simply
Google the name of an element and read the respective article e.g., on
Wikipedia]. Write down a brief profile of each element.
4. Explain the difference between the groups and the periods on the
periodic table. What is the significance of each in terms of electrons?
5. Which selection contains elements that are all in the same group?
F, Cl, Br, Fe, Cu, Ni, C, N, O d. Al, Ge, Sb, B, Si, As
6. Which selection contains elements that are all in the same period?
Rb, Sr, La, Zr b. Al, Ga, Si, P c. N, O, Cl, Br d. Hg, Tl, Pb, Bi.
7. What is the group assigned to carbon in the periodic table? How can its
position in the periodic table tell you about its versatility? (Answer in
about 100 words.)

Crystal Structure
 How materials are classified?
 What is a crystal?
 Lattice, Basis, lattice vectors, symmetry etc.
 3 dimensional lattices
 Technologically relevant Structures: fcc & hcp
 Packing densities, Closed packing
 Miller indices for cubic system
 Diamond structure
8

4
Materials
Condensed matter
Hard matter Soft Matter

Liquids and Gases etc

Solids
Liquid having
immobile atoms e.g.,
Crystalline Amorphous due to very high
viscocity. No long
range order

Single Crystalline / Poly crystalline

Solids

10

5
Crystal
Crystal: a three dimensional periodic arrangement of
atoms

Lattice: geometrical structure of points in space having


some definite arrangement

Basis: Set of atoms or molecules, when associated with


each and every lattice point it forms the crystal structure.

Lattice + Basis = Crystal


The lattice structure is material dependent and is governed by
the type of bonds that lead to crystal formation.

Diamond (C): face centered cubic structure.


Ruby (Al2O3:Cr): hexagonal structure. 11

Crystal Growth: Semiconductors (Si)


Czochralski Process

Ingot
Wafers
ICs in a nanoelectronic circut

6
Lattice + Basis = Crystal

13

Space Lattice

Primitive = P
a10 NP Non primitive = NP

a9 a8 P
a7 Lattice Vectors

P
a6
a5
unit cell
a4 NP
a2 P
a1 a3

 Lattice points are points which have identical environments.


These can be connected to form unit cells. 14

7
Lattice Vectors
 Vectors Joining two lattice points are called Lattice translation
vectors.

 The smallest possible lattice vectors joining two consecutive


lattice points are called fundamental or Primitive lattice
vectors

Lattice Translational Vectors

r 6 a2
r = 4 a1 + 6 a2

4 a1

r = n1 a1 + n2 a2 r = n 1 a 1 + n 2 a 2+ n 3 a 3

8
Unit Cells

a10 NP

a9 a8 P
a7
A = a1 x a 2
P
a6
a5
unit cell
a4 NP
a2 P
a1 a3

 More than one choice for a primitive unit cell.


An alternate method is needed !

Unit Cell: 3 dimensional lattices


The unit cell is defined as a parallelepiped, providing six lattice
parameters: lengths of the cell edges (a1, a2, a3) and the angles
between them (α, β, γ).

Volume of a parallelepiped: = .

9
Unit Cell
 Each unit cell is defined in terms of lattice points.

 Unit cell is the smallest repeating structural-unit.


 It represents all the properties of the whole crystal.
 It has the full symmetry of the crystal structure.

Two dimensional lattices


5 lattices in 2 dimensions: BRAVIAS LATTICES
Oblique Rectangular Centered-Rectangular

Hexagonal Square

10
Primitive and Conventional Cells
 Primitive unit cell = one set of basis/per unit cell.
Lattice points are only at the corners.
 Basis associated with Primitive cell is called a
primitive basis
 Primitive unit cell does not necessarily have the same
symmetry as the lattice.

 Cell with the same symmetry as that of lattice is a


conventional unit cell. (P or NP both possible)
 Sometimes (e.g., semiconductor physics) a NP-
conventional unit cell, might be preferable to a P-unit
cell because the latter lacks certain symmetries
inherent in the crystal.

Primitive vs. Conventional in 3D Lattices

 Is it possible to construct a primitive cell while


retaining all the symmetry of the lattice ?

11
Wigner-Seitz Cell
An alternate method to
construct primitive unit cell

Wigner-Seitz Cell Construction

WZ-cell for reciprocal lattice is called the


BRILLIOUN ZONE

12
WZ-cell in 3 dimensions
Body Centered Cubic (bcc)

(Truncated Octahedron)

Symmetry
 An object has symmetry if there is an operation or transformation
(such as translation, rotation or reflection) that maps the object
onto itself.
 The object has an invariance under the transformation.

 Rotations about an axis leaves the objects unchanged. All points


before and after the transformation would be indistinguishable.
 Reflections about mirror lines/planes. Both sides are mirror
images of each other.

Thus, a symmetry can be thought of as an immunity to change

13
Butterfly

A drawing of a butterfly with reflection (or bilateral)


symmetry i.e., left and right sides are mirror images
of each other !

Butterfly
Reflection symmetry in nature : symmetrical portrait of swans

A drawing of a butterfly with reflection symmetry i.e.,


left and right sides are mirror images of each other

14
Butterfly
Reflection symmetry in nature

A drawing of a butterfly with reflection symmetry i.e.,


left and right sides are mirror images of each other

Translation
 To move an object from one place to another without rotating it
is called Translation

 Translational symmetry is the invariance of a system under


translation.

15
Types of Symmetry
REFLECTION SYMMETRY
Mirror line
 The object coincides with itself
along a mirror line (or plane in 3D).

ROTATIONAL SYMMETRY

 The object coincides with itself when


rotated a certain angle.

TRANSLATIONAL SYMMETRY

 The object coincides when moved along


a vector (a certain distance in a certain
direction).

Let us apply these concepts to a


crystal lattice

Lattice Symmetry
 Symmetry Operation: An operation which map the lattice on to
itself is called symmetry operation

 Translational symmetry is the invariance of a system of under


translation.

 Continuous translational symmetry is the invariance under


any translation. Discrete translational symmetry is invariance
under discrete translation.

 Lattice Translational symmetry is the invariance of a lattice


under translation of a lattice vector.

 A crystal lattice has discrete translational symmetry.

 Symmetry Breaking: A crystal lattice breaks the continuous


translational symmetry of free space.

16
Translational Symmetry

 Lattice is mapped onto itself by a translation of one lattice


translation vector: Translational symmetry.

Point Symmetry Operations


 Every crystal lattice must have translation symmetry.
 Other non-translational or point symmetry may also present.

OPERATION SYMBOL INVARIANT POINTS

Rotation Axis of rotation


Axis of rotation
O

Mirror Plane
Reflection
Mirror Plane
I

-F F
I O
Inversion Center of inversion
Center on Inversion

17
Rotational Symmetry (RS)
 An object or a lattice has an n-fold axis of rotation if it looks
the same after a rotation of 360/n or 2 /n

ROTATIONAL AXIS SYMBOL ANGLE

1-fold C1 360 or 2

2-fold C2 180 or 

3-fold C3 120 or 2/3

4-fold C4 90 or /2

6-fold C6 60 or /3

 5 fold 7 fold and higher order rotational axes are incompatible


with the translational symmetry of the lattice.

Five fold Symmetry

Charles Kittel, Introduction to Solid


State Physics, Wiley, 2004

Prove quantitatively that five-fold rotational axis is incompatible with the


translational symmetry. [Hint: see S. O. Pillai, Solid State Physics, 7th
Edition by New Age International.

18
5-fold symmetry is incompatible with the translational symmetry.

S. O. Pillai, Solid State Physics, Chapter 4


Continued on next slide

F5-fold symmetry is incompatible with the translational symmetry.

This proof is taken from S. O. Pillai. However, I know that there are
some other and possibly more elegant ways to prove this theorem.
I strongly advise the students to look in other Solid State books or
internet resources. Perhaps you can find a relevant video on
Youtube. Please go ahead !

19
Five fold Symmetry in nature
These okra slices seems to have
five fold rotational symmetry.

ACTIVITY:
Please confirm if its true for the
okra species cultivated in
PAKISTAN.

Pakistan is one of worlds


leading Okra producing
country despite of our
backward land cultivation
methods and poor crop
management.

Examples: Rotational Symmetry

20
RS of Some Geometrical shapes
RECTANGLE 2-fold rotation axis
Original Rotation by 180ᵒ

EQVILATERAL 3-fold rotation axis


TRIANGLE

Original Rotation by 120ᵒ

SQUARE 4-fold rotation axis

Original Rotation by 90ᵒ

HEXAGONE 6-fold rotation axis

Original Rotation by 60ᵒ Counterclockwise rotations

23 Symmetry elements in a cubic crystal


Centre of symmetry or Center of Inversion
 A crystal will possess an inversion center if for every lattice point
given by the position vector r, there will be a corresponding lattice
point at the position - r.

inversion center

 The body center of the cube is a center of symmetry.


 Thus a cube has 1 inversion center.

21
Reflection Symmetry: Mirror Planes
 A crystal is said to have reflection symmetry about a plane if
it is left unchanged in every way after being reflected by the
plane.

 3 planes of symmetry parallel to the faces of the cube.


 6 diagonal planes of symmetry of the cube.

Rotational Symmetry: Axis of Rotation


6 diad axes 4 traid axes 3 tetrad axes

22
Three tetrad axis: Four fold rot axes

Orientation of symmetry axes axes

Tetrad

Diad

Traid

Rotational axes
3 Tetrad axes + 4 Traid axes + 6 Diad axes = 13 Axes

23
Total Symmetry elements in a cube
 Centre of symmetry = 1

 Mirror planes
3 (straight) + 6 (diagonal) = 9

 Rotational axes
3 Tetrad axes + 4 Traid axes + 6 Diad axes = 13 Axes

There are 23 symmetry elements in a cube

Draw the rotational symmetry axes in a cube

Assignment
 Have a look at the above picture and draw it in your notebooks.
Try to understand the orientations of different symmetry axes
(diads, traids and tetraids). [Ref: S. O. Pillai, Chapter 4]

24

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