Well come to the Introduction to condensed mater of

Physics Class
Chapter One
1. Crystal Structure and X-ray Diffraction (7 hrs)
1.1 Lattice points and space lattice
1.2. Fundamental types of lattices
1.3. Index system for crystal planes
1.4 Classification of crystals
1.5. Crystal and reciprocal space
1.6. Brillion zone in one, two and three dimensions
1.7. X-ray diffraction
1.8. Structure factor and extinction rules
1.9. Liquid crystal
Chapter One: Crystal Structure and X-ray Diffraction
• INTRODUCTION  Crystal and reciprocal space
In physics especially in crystallography, crystal structure  Brillion zone in one, two and three dimensions
is a description of the ordered arrangement of atoms,
 X-ray diffraction
ions or molecules in a crystalline material. Ordered
structures occur from the intrinsic nature of the  Structure factor and extinction rules
constituent particles to form symmetric patterns that  Liquid crystal
repeat along the principal directions of 3-dimensional
space in matter.
Objective of this Chapter:-
In this unit, you will study about the:-
 crystalline solids, crystal structure,
 Lattice points and space lattice
 Fundamental types of lattices
 Index system for crystal planes
 Classification of crystals
CLASSIFICATION OF SOLIDS
• If we examine the solid materials with which we daily come across,
we shall find that most of them do not have any characteristic
difference in their outward appearance. But, if we examine them
under a microscope we shall find that these materials have different
internal atomic structures.
 Based on the internal atomic structure, the solids can be classified
into two categories, namely;-
i. Crystalline and
ii. Non-Crystalline or Amorphous Solids.
  CRYSTALLINE SOLIDS (CRYSTALS)
• Crystalline solids or crystals are those in which the or an aggregate of many small crystals or grains
constituent atoms or molecules are arranged in an separated by well defined grain boundaries (also known
orderly fashion throughout in a three dimensional as polycrystalline solid).
pattern.
 Few examples for crystalline solids: Copper, Silver,
• Each atom or molecule is fixed at a definite point in Aluminium, Iron, etc.
space at a definite distance from and in a definite
• Crystallography: The study of the geometric form and
angular orientation to all other atoms or molecules
other physical properties of crystalline solids by using X-
surrounding it.
rays, electron beams and neutron beams, etc., is termed
• Therefore, crystalline solids have well-defined as the science of crystallography.
geometrical form (pattern), i.e., they have well-defined
 Note:
faces and angles between them.
• Grains: The crystals are also known grains.
• [In a crystal, the atoms are arranged like soldiers on a
parade ground in well defined columns and rows.] • Grain Boundary: The boundary separating the two
adjacent grains is called grain boundary.
• Further when crystal breaks, the broken pieces have
regular shapes. • Whisker: Whiskers are nothing but artificially produced
crystals. They are produced under some special conditions
• The crystalline solids have directional properties and
so that they do not have any structure defects.
therefore they are called anisotropic substances.
• Examples for Single Crystals: Sugar, common salt (NaCl),
• A crystalline material may be either in the form of a
diamond, etc. These single crystals are produced artificially
single crystal (where the solid contains only one crystal)
from their vapour or liquid state.
 AMORPHOUS SOLIDS (NON-CRYSTALLINE SOLIDS)
• ‘Amorphous’ means ‘Without Form’
• In amorphous solids, the constituent particles, atoms or molecules
are not arranged in an orderly fashion, i.e., the same atomic groups
are arranged more randomly.
 These solids have no directional properties and therefore they are
called isotropic substances. These amorphous solids do not have a
sharp melting point. Examples: Plastics, Rubber and Glass.
Note:
 Supercooled Liquids
oThe materials like glass, which exhibit some of the properties of a
solid like hardness, definite shape, etc., but are not crystalline, are
regarded as supercooled liquids.
Check Your Progress
1. Define the classification of solids.
2. What are the crystalline solids (crystals)?
3. Explain the term crystallography.
4. Elaborate on the whisker.
5. Interpret the amorphous solids (non-crystalline solids).
6. What do you understand by the supercooled liquids?
 CRYSTAL STRUCTURE
• The crystal structure gives the arrangement and disposition of atoms
within a crystal.
• Determination of crystal structure with the help of X-rays is known as X-ray
crystallography.
• X-rays are most widely used to study the crystal structure because the
wavelength of X-rays ( to m) is most comparable with the
inter-atomic distances.
• We have different types of Fundamental Crystallographic Terms. Those
are:-
Space Lattice or Crystal Lattice
 Lattice points
Lattice Plane
Base
Unit Cell,….,etc
1.1 Lattice points and space lattice
• Lattice Points :- • That is, space lattice is an idealised geometrical
 Lattice points denote the position of atoms or (imaginary) concept by which crystal structures
can be described.
molecules in the crystal.
 The points in the space lattice are called lattice  Eg: We know that a metal consists of a number
points. It is an imaginary concept. of crystals, and each crystal, in turn, consists of
a large number of atoms.
• Space Lattice or Crystal Lattice is defined as:-
 Consider the cross-section of a crystal, in which
 A three-dimensional collection of points in the atoms be arranged in a rectangular pattern,
space is called a space lattice or crystal lattice. as shown in Figure 1.1.
The environment about any particular point is
in every way the same.
 A geometrical representation of the crystal
structure in terms of lattice points is called
space lattice, provided the environment about
every point is identical to that of every other
point.
Cont…
• From the Figure 1.2 it may be noted that each atom present in the crystal has its
surroundings identical to that of every other atom. Now, if we replace all the
atoms in this cross section by points (corresponding to the centres of all atoms),
then the resulting collection of points shown in Figure 1.2 is called a lattice. This is
the case of a two-dimensional lattice or plane lattice.

• Similarly, the group of lattice points in the three-dimensional pattern is known

as crystal lattice or space lattice. It may be noted that in a crystal lattice, each
point has its surrounding identical to that of every other point.
Basis or Motif
• A crystal structure is formed by associating with every lattice point a unit assembly of atoms or
molecules (i.e., one or more atoms or molecules) that are identical in composition, arrangement
and orientation. This unit assembly is called the basis or pattern or motif (Refer Figure 1.3).
• The logical relation is, Space Lattice + Basis = Crystal Structure
Cont…
• The number of atoms in the basis may equally spaced planes in a space lattice
be as low as 1. which include all lattice points are
Example, aluminium and barium. called lattice planes. The different ways
of drawing the lattice planes for the
In NaCl and KCl the basis is two atoms array of Figure 1.3 is shown in Figure
and in CaF2 the basis is three atoms. 1.4.
 But, there are structures for which the
basis exceeds 1,000 atoms. Note: • A
crystal lattice refers to the geometry of
a set of points in space whereas the
crystal structure refers to the actual
ordering or alignments of its
constituent ions, atoms or molecules in
the space.
Lattice Planes:- A set of parallel and
 Unit Cell
• The unit cell is defined as the smallest geometric figure, the repetition of which gives the actual
crystal structure.
• It may also be defined as the fundamental elementary pattern of minimum number of atoms,
molecules or groups of molecules which represent fully all the characteristics of the unit cell.
 Cont…
• Consider a two-dimensional crystal lattice shown repetition in three dimension.
in Figure 1.5. When a parallelogram such as ABCD • Note:
is rotated repeatedly by any integral multiple of
vectors 𝑎⃗, 𝑏, then corresponding to AB and AD  The unit cell may be considered as the brick of a
whole pattern or array may be obtained. The wall where the latter represents the crystal.
whole crystal may thus be reproduced.  We know that the shape of the wall depends upon
• This region ABCD is called a unit cell and 𝑎⃗, 𝑏 the the shape and arrangement of the brick.
basis vectors. The choice of a unit cell is not  Similarly, the shape of the crystal will depend upon
unique. But, it can be constructed into a number the shape of the unit cell and the arrangement of
of ways like 𝐴 𝐵 𝐶 𝐷 or 𝐴 𝐵 𝐶 𝐷 without atoms within the unit cell.
affecting the symmetry of the crystal.
 Translation: Motion of a body in which all the
• We can extend the same procedure for a three points in the body follow parallel paths.
dimensional case also. Figure 1.5 shows the unit
cell in three dimension.  Other terms used to represent a unit cell: The
unit cell is also known as basic cell or basic unit or
• Definition: A unit cell in three dimension is fundamental unit or fundamental elementary
defined as that volume of the solid from which the pattern or building block or lattice unit.
entire crystal can be formed by the translational
Lattice Parameters
• Figure 1.6 shows a unit cell of a three-  Both the intercepts and interfacial angles
dimensional crystal lattice. constitute the lattice parameters of the unit
cell.
• The lines drawn parallel to the lines of
intersection of any three faces of the unit cell,
which do not lie in the same plane, are called
crystallographic axes.
• The intercepts a, b and c are nothing but the
edges of the unit cell (i.e., the distance
between two lattice points), which defines the
dimensions of an unit cell. These intercepts are
known as its primitives or characteristic
intercepts along the axes.
 These three quantities a, b and c are also called The form and actual size of the unit cell can be
the fundamental translational vectors. The determined if the values of intercepts and
angles between (a, b), (b, c) and (c, a) are interfacial angles are known.
denoted by (𝛾, 𝛼 𝑎𝑛𝑑 𝛽) respectively. The three
angles (𝛼, 𝛽 𝑎𝑛𝑑𝛾) are called interfacial angles.
Primitive Cell (P)
• A primitive cell is the simplest type of unit cell which contains one
lattice point per unit cell (contains lattice points at its corner only).
Example: Cubic Cell.
• If there are more than one lattice point it is called a non-primitive cell.
Example: BCC and FCC contain more than one lattice point per unit
cell.
• If the number of lattice points per unit cell is two (BCC), three and
four (FCC) the unit cell is called doubly primitive, triply primitive and
quadruply primitive, respectively.
1.2. Fundamental types of lattices
• 1.2.1 Two Dimensional Lattice Type: consider two lattice vectors for
defining any point. The simplest translational T can be given as:-
Cont…
Cont…
1.2.2. Three Dimensional Lattice Types
• Crystal system are divided into seven groups or seven types crystal
system based on condition of lattice three vectors and three
interfacing angles between them.
• Seven types of Crystal system which contains total 14 types of lattice.
• Named as cubic, tetragonal, orthorhombic, monoclinic, triclinic,
triangular (rhombohedral) and hexagonal
Cont…
Cont…
1.2.2.1 Cubic crystal system
• The simplest and easiest structure.
• Three types of possible crystal structure under this family named as
simple cubic, body centered cubic and face centered cubic.
 Simple cubic crystal (sc)
 Lattice points are arranged at each 8 corner of cube.
At each corner of cube, an atom is shared by 8 nearby unit cells.
 one unit cell contains .
 Each atom is surrounded by 6 nearest neighbors atoms. The number
of nearest neighbors of a lattice point (or atom) in a crystal lattice is
called coordinate number.
 Example Cu, Ag, Au are this types of structure.
Cont…
Cont…
Cont…
Body centered cubic (bcc)
 In this case of cubic crystal, one atom is arranged inside the cube
additional to eight atoms at eight corners this structure
 one atom is inside the unit cell entirely, and eight corners of lattice
cube share1/8 part of each atoms. Therefore the number of atoms in
a bcc unit cell .
 Many metals a like Li, Na, K, Cr exhibit bcc
Cont…
Cont…
Cont…
Face centered cubic crystal
8 atoms are arranged at eight corners of the cubic lattice and 6 atoms
are arranged at the centre of eight faces of cube
 Each atom of 8 corners is shared by 8 neighbor unit cells therefore
one corner of cube share 1/8 atom; each atom at the faces of cube is
shared by 2 unit cell and each face shared 1/2 atom and total 6 faces
share . Therefore net atoms inside a unit cell is
equal to .
coordinate number of fcc crystal is 12.
 example of fcc Crystal are Al, Cu, Au, Ag etc.
Cont…
Cont… N.B: Nearest neighbors distance is half of a body diagonal distance(2r) for all SC, BCC and FCC.
1.3. Index system for crystal planes
Definition of miller index
Cont…
Cont…
Cont…
Cont…
Cont…
Cont…
Cont…
Cont…
Cont…
1.4. Classification of crystals
• Crystalline substances can be described 2 metals and Group 16 or 17 nonmetals
by the types of particles in them and or nonmetallic polyatomic ions.
the types of chemical bonding that take Ionic crystals are hard and brittle and
place between the particles. There are have high melting points.
four types of crystals: (1) ionic,
(2) metallic, (3) covalent network, and Ionic compounds do not conduct
(4) molecular. electricity as solids, but do conduct
electricity when molten or in aqueous
Ionic crystals - The ionic crystal solution.
structure consists of alternating
positively-charged cations and
negatively-charged anions (see figure
below).
The ions may either be monatomic or
polyatomic. Generally, ionic crystals
form from a combination of Group 1 or
Cont….
Metallic crystal - Metallic crystals consist of metal cations surrounded by a "sea"
of mobile valence electrons (see figure below). These electrons, also referred to
as delocalized electrons, do not belong to any one atom, but are capable of
moving through the entire crystal.
 As a result, metals are good conductors of electricity. As seen in the table above,
the melting points of metallic crystals span a wide range
Cont…
Covalent network crystals - A covalent network crystal consists of atoms at the
lattice points of the crystal, with each atom being covalently bonded to its
nearest neighbor atoms (see figure below).
The covalently bonded network is three-dimensional and contains a very large
number of atoms.
Network solids include diamond, quartz, many metalloids, and oxides of
transition metals and metalloids.
Network solids are hard and brittle, with extremely high melting and boiling
points. Being composed of atoms rather than ions, they do not conduct electricity
in any state.
Cont…
Molecular crystals - Molecular crystals typically consist of molecules at the lattice
points of the crystal, held together by relatively weak intermolecular forces (see
figure below).
The intermolecular forces may be dispersion forces in the case of nonpolar
crystals, or dipole-dipole forces in the case of polar crystals.
Some molecular crystals, such as ice, have molecules held together by hydrogen
bonds.
When one of the noble gases is cooled and solidified, the lattice points are
individual atoms rather than molecules.
 In all cases, the intermolecular forces holding the particles together are far
weaker than either ionic or covalent bonds.
As a result, the melting and boiling points of molecular crystals are much lower.
Lacking ions or free electrons, molecular crystals are poor electrical conductors.
Cont…
 1.5 Crystal and reciprocal space
1.5.2 Reciprocal space
 Two types of lattice are of a great importance:-
1. Reciprocal lattice
2. Direct lattice (which is the Bravais lattice that determines a given reciprocal
lattice).
What is a reciprocal lattice? A reciprocal lattice is regarded as a geometrical
abstraction. It is essentially identical to a "wave vector" k-space.
Since we know that may construct a set of points of a Bravais lattice, thus a
reciprocal lattice can be defined as:-
The collection of all wave vectors that yield plane waves with a period of the
Bravais lattice.[Note: any vector is a possible period of the Bravais lattice]
A collection of vectors satisfying ( ⃗ . ) , where n is an
integer and is defined as: Here , is a reciprocal lattice vector
which can be defined as: , where are
integers. [Note: In some text books you may find that ].
 Cont…
The reciprocal lattice vector which generates the reciprocal lattice is
constructed from the linear combination of the primitive vectors ,
× ×
, where:- , and
×
.
 Notes:
1. Since . , this implies that

2. The two lattices (reciprocal and direct) are related by the above
definitions in 1.
3. Rotating a crystal means rotating both the direct and reciprocal lattices.
Cont…
4. The direct crystal lattice has the dimension of [L] while the reciprocal
lattice has the dimension of [ ].
Why do we need a reciprocal lattice?
Reciprocal lattice provides a simple geometrical basis for
understanding:
a) All things of "wave nature" (like behavior of electron and lattice
vibrations in crystals.
b) The geometry of x-ray and electron diffraction patterns.
 Reciprocal lattice to simple cubic (sc) lattice: The simple cubic
primitive lattice, which has the primitive vectors a
and has a volume of cell equal to .
Cont…
• The corresponding primitive vectors in the reciprocal lattice can be
obtained as:
Cont…
Cont…
Cont…
Cont…
Cont…
Cont…
Cont…
1.6. Brillion zone in one, two and three
dimensions
1.6.1 Brillion zone in one dimension
1.6.2. Brillion two dimension
Cont…
1.6.3 Brillion three dimension
Brillion zone means:
Cont…
Cont…
Cont…
Cont…
Cont…
1.7. X-ray diffraction
Cont…
Why X-RD is used?
Cont…
Cont…
1.8. Structure factor and extinction rules
1.9. Liquid crystal
• when solids are heated up, it changes into liquid state but there are some solids,
when they are heated, not directly change into liquid state but it goes through a
intermediate state and state is called liquid solids.
• This mixed state of solid and liquid has property in between true crystals solid and
true liquid.
 Main properties of liquid crystals are as ordered arrangement of particles,
optically active, fluidity, viscosity, and surface tension.
 Liquid crystals have state which flow like a liquid but have ordered arrangement of
atoms.
 In, 1888, Frederick Reinifzer an Austrian Botanists discovered first liquid crystal
Cholesteryl benzoate used for hair color.
 Uses of liquid crystals:
1. used in display of electrical device known as LCD.
2. used as temperature sensor in thermometers.
3. Used in medical sciences for locating blockage in veins, arteries, infections and
tumors by skin thermograph.