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Electrical Engineering

EE 3219

Dr. Md. Sherajul Islam

Associate Professor

Department of Electrical and Electronics Engineering

Khulna University of Engineering & Technology
Khulna, Bangladesh
Elementary Materials Science Concepts
nD + t






• Solids consist of atoms or molecules undergoing

thermal motion about their equilibrium positions,
which are at fixed points in space.


 Types of solids based on structure

 Types of solids based on bonding
Bonding and Types of Solids
Bonding Energies and Forces


Potential Energy, E


Typical potential between two atoms

Repulsion when they are brought close together

Related to Pauli principle
(As electron clouds overlap energy increases)

Attractive part: at large distances

(Depends on type of bonding)
• This typical curve has a
minimum at equilibrium
distance R0 V(R)
• R > R0 ;
– the potential increases
gradually, approaching Repulsive
0 as R∞
– the force is attractive 0 R0
• R < R0; R
– the potential increases Attractive
very rapidly,
approaching ∞ at small R
– the force is repulsive

Force between the atoms is the negative of the slope of this curve.
At equlibrium, repulsive force becomes equals to the attractive part.
The potential energy of either atom will be given by:

V= decrease in potential energy+increase in potential energy

(due to attraction) (due to repulsion)

or simply:
a b
V (r )  m  n
r r
V(r): the net potential energy of interaction as function of r

r: the distance between atoms, ions, or molecules

a,b: proportionality constant of attraction and repulsion,


m, n: constant characteristics of each type of bond and type

of structure
•Primary Bonds

•Secondary Bonding
Van der Waals
Hydrogen bond

•Molecules and Molecular Solids


 Ionic bonding is the electrostatic force of attraction

between positively and negatively charged ions
(between non-metals and metals).
 These ions have been produced as a result of a transfer
of electrons between two atoms with a large difference
in electro negativities.
 All ionic compounds are crystalline solids at room

 NaCl is a typical example of ionic bonding.

• The metallic elements have only up to the valence
electrons in their outer shell will lose their electrons
and become positive ions, whereas electronegative
elements tend to acquire additional electrons to
complete their octed and become negative ions, or

Na Cl
• Notice that when sodium loses its one valence electron it gets
smaller in size, while chlorine grows larger when it gains an
additional valance electron. After the reaction takes place, the
charged Na+ and Cl- ions are held together by electrostatic
forces, thus forming an ionic bond.
• When the Na+ and Cl- ions approach each other
closely enough so that the orbits of the electron in the
ions begin the overlap each other, then the electron
begins to repel each other by virtue of the repulsive
electrostatic coulomb force. Of course the closer
together the ions are, the grater the repulsive force.

• Pauli exclusion principle has an important role in

repulsive force. To prevent a violation of the exclusion
principle, the potential energy of the system increases
very rapidly.
Property Explanation
The melting and boiling points of ionic compounds
Melting point are high because a large amount of thermal
and boiling point energy is required to separate the ions which are
bound by strong electrical forces.
Solid ionic compounds do not conduct electricity
when a potential is applied because there are no
mobile charged particles.
No free electrons causes the ions to be firmly
bound and cannot carry charge by moving.
Most ionic compounds are hard; the surfaces of
their crystals are not easily scratches. This is
because the ions are bound strongly to the lattice
and aren't easily displaced.
Most ionic compounds are brittle; a crystal will
shatter if we try to distort it. This happens because
distortion cause ions of like charges to come close
together then sharply repel.
• Covalent bonding takes place between atoms with small
differences in electronegativity which are close to each
other in periodic table (between non-metals and non-
• The covalent bonding is formed by sharing of outer shell
electrons (i.e., s and p electrons) between atoms rather
than by electron transfer.
• This bonding can be attained if the two atoms each
share one of the other’s electrons.
• So the noble gas electron configuration can be attained.
• Each electron in a shared pair is attracted to both nuclei
involved in the bond. The approach, electron overlap, and
attraction can be visualized as shown in the following
figure representing the nuclei and electrons in a hydrogen

Property Explanation
Very high melting points because each atom is
bound by strong covalent bonds. Many covalent
Melting point
bonds must be broken if the solid is to be melted
and boiling point
and a large amount of thermal energy is required
for this.

Poor conductors because electrons are held either

conductivity on the atoms or within covalent bonds. They
cannot move through the lattice.

They are hard because the atoms are strongly

bound in the lattice, and are not easily displaced.

Covalent network substances are brittle.If sufficient

force is applied to a crystal, covalent bond are
Brittleness broken as the lattice is distorted. Shattering occurs
rather than deformation of a shape.
Comparison of Ionic and
Covalent Bonding

• Metallic bonding is the type of

bonding found in metal
elements. This is the
electrostatic force of attraction
between positively charged ions
and delocalized outer electrons.

• The metallic bond is weaker

than the ionic and the covalent

Metallic bonding is the force of attraction between valence electrons and the
metal ions. It is the sharing of many detached electrons between many positive
ions, where the electrons act as a "glue" giving the substance a definite structure.
• Metallic structures are typically rather empty (having
large internuclear spacings) and prefer lattice
arrangements in which each atom has many nearest

• The weakness of the individual bonding actions in a

metal is due to the enlargement of the internuclear
 Valance electrons are relatively bound to the nucleus and
therefore they move freely through the metal and they are
spread out among the atoms in the form of a low-density
electron cloud.

A metallic bond result from the

sharing of a variable number of + + +
electrons by a variable number of

atoms. A metal may be described
+ + +
as a cloud of free electrons.

 Therefore, metals have high + + +

electrical and thermal conductivity.
• All valence electrons in a metal combine to form a “sea” of
electrons that move freely between the atom cores. The
more electrons, the stronger the attraction. This means the
melting and boiling points are higher, and the metal is
stronger and harder.
• The positively charged cores are held together by these
negatively charged electrons.
• The free electrons act as the bond (or as a “glue”) between
the positively charged ions.
• This type of bonding is nondirectional and is rather
insensitive to structure.
• As a result we have a high ductility of metals - the “bonds”
do not “break” when atoms are rearranged – metals can
experience a significant degree of plastic deformation.

• It is a weak bond, with a typical strength of 0.2 eV/atom.

• It occurs between neutral atoms and molecules.
• The explanation of these weak forces of attraction is that
there are natural fluctuation in the electron density of all
molecules and these cause small temporary dipoles
within the molecules. It is these temporary dipoles that
attract one molecule to another. They are called van der
Waals' forces.

• The bigger a molecule is, the easier it is to polarise (to

form a dipole), and so the van der Waal's forces get
stronger, so bigger molecules exist as liquids or solids
rather than gases.
• The shape of a molecule influences its ability to form
temporary dipoles. Long thin molecules can pack closer to
each other than molecules that are more spherical. The
bigger the 'surface area' of a molecule, the greater the van
der Waal's forces will be and the higher the melting and
boiling points of the compound will be.
• Van der Waal's forces are of the order of 1% of the strength
of a covalent bond.

Homonuclear molecules,
such as iodine, develop Heteronuclear molecules,
temporary dipoles due to such as H-Cl have permanent
natural fluctuations of electron dipoles that attract the opposite
density within the molecule pole in other molecules.
The dipoles can be formed as a result of unbalanced distribution
of electrons in asymettrical molecules. This is caused by the
instantaneous location of a few more electrons on one side of the
nucleus than on the other.

symmetric asymmetric
Therefore atoms or molecules containing dipoles are attracted
to each other by electrostatic forces.

Display a marked
No attraction is produced
attractive forces
• These forces are due to the electrostatic attraction
between the nucleus of one atom and the electrons of
the other.

 Van der waals interaction occurs generally between

atoms which have noble gas configuration.

van der waals

• A hydrogen atom, having one electron, can be covalently
bonded to only one atom. However, the hydrogen atom
can involve itself in an additional electrostatic bond with a
second atom of highly electronegative character such as
fluorine or oxygen. This second bond permits a hydrogen
bond between two atoms or strucures.
• The strength of hydrogen bonding varies from 0.1 to 0.5
 Hydrogen bonds connect water
molecules in ordinary ice.
Hydrogen bonding is also very
important in proteins and
nucleic acids and therefore in
life processes.
Periodic Arrays of Atoms
Experimental Evidence of periodic
(See Kittel, Fig. 1.)
The external appearance of crystals gives some clues to this.
Fig. 1 shows that when a crystal is cleaved, we can see that it
is built up of identical “building blocks”. Further, the early
crystallographers noted that the index numbers that define plane
orientations are exact integers.

Cleaving a
Elementary Crystallography
Solid Material

Crystalline Polycrystalline Amorphous

Crystalline Solids

• A Crystalline Solid is the solid form of a substance in

which the atoms or molecules are arranged in a definite,
repeating pattern in three dimensions.
• Single Crystals, ideally have a high degree of order, or regular
geometric periodicity, throughout the entire volume of the
• A Single Crystal has an atomic structure that
repeats periodically across its whole volume. Even
at infinite length scales, each atom is related to
every other equivalent atom in the structure by
translational symmetry.

Single Pyrite Crystal Amorphous Solid

Single Crystals
Polycrystalline Solids
• A Polycrystalline Solid is made up of an aggregate of
many small single crystals (crystallites or grains).
Polycrystalline materials have a high degree of order over
many atomic or molecular dimensions. These ordered
regions, or single crystal regions, vary in size & orientation
with respect to one another. These regions are called grains (or
domains) & are separated from one another by grain
• The atomic order can vary from one domain to the next.
The grains are usually 100 nm - 100 microns in diameter.
Polycrystals with grains that are < 10 nm in diameter are called
Pyrite Grain
Amorphous Solids
• Amorphous (Non-crystalline) Solids are
composed of
randomly orientated atoms, ions, or molecules
that do not form defined patterns or lattice
structures. Amorphous materials have order only
within a few atomic or molecular dimensions. They
do not have any long-range order, but they have
varying degrees of short-range order. Examples of
amorphous material include amorphous silicon,
plastics, & glasses.
Departures From the “Perfect Crystal”

• A “Perfect Crystal” is an idealization that does not

exist in nature. In some ways, even a crystal surface
is an imperfection, because the periodicity is
interrupted there.
• Each atom undergoes thermal vibrations around their
equilibrium positions for temperatures T > 0K. These
can also be viewed as “imperfections”.
• Real Crystals always have foreign
atoms (impurities), missing atoms
(vacancies), & atoms in between
lattice sites (interstitials) where
they should not be. Each of these
spoils the perfect crystal structure.
Crystal Lattice

A lattice is a collection of points, which are arranged in a

periodic pattern so that the surroundings of each point are

Platinum Surface Crystal Lattice

(Scanning Tunneling
Platinum Microscope) Structure of Platinum
Crystal Lattice

Mathematically 2 Dimensional Example

A Lattice is Defined as 

an Infinite Array of y

Points in Space
in which each point has b α

identical surroundings
to all others. The points O a A x

are arranged exactly

in a periodic manner.
Crystal Basis

A group of one or more atoms located in a

particular way with respect to each other
and associated with each lattice point is
known as the basis or motif
The simplest structural unit for a given
solid is called the BASIS
Crystal Structure ≡ Lattice +
Crystalline Periodicity

• In a crystalline material, the equilibrium

positions of all the atoms form a crystal
Crystal Structure ≡ Lattice + Basis

Lattice 

2 Atom Basis 

Crystal 
Crystalline Periodicity

Crystal Structure ≡ Lattice + Basis

For another example, see the figure.
 Basis

Crystalline Periodicity

Crystal Structure ≡ Lattice + Basis

For another example, see the figure.

Basis Crystal
 Structure

Lattice 
A Two-Dimensional (Bravais) Lattice
with Different Choices for the Basis
The atoms do not necessarily lie at lattice
Crystal Structure = Lattice + Basis


Crystal 
Bravais Lattice
An infinite array of discrete points with an
arrangement and orientation that appears
exactly the same, from any of the points the
array is viewed from.
Only one way to arrange points in one dimension
such that each point has identical surroundings
Five distinct ways to arrange points in two dimensions
such that each point has identical surroundings
Fourteen unique ways to arrange points in three dimensions

All the credit to Auguste Bravais

(1811–1863) French crystallographer
Bravais Lattice
The fourteen Bravais lattices are grouped into seven crystal systems

Cubic, tetragonal, orthorhombic, rhombohedral (also

known as trigonal), hexagonal, monoclinic, and triclinic

Simple cubic (SC), face-centered cubic (FCC), and body-centered cubic (BCC)

These names describe the arrangement

of lattice points in the unit cell
Fourteen Bravais Lattices
Unit cell
How the atoms are arranged in space?
A hypothetical two-dimensional crystal that consists of atoms all of the same type

Note that for each unit cell, there is only one quarter of an
atom at each corner in two dimensions.

1/4 atom corner *4 corners = 1 atom per unit cell

Lattice Parameters and Interaxial Angles

The lattice parameters are the axial lengths or

dimensions of the unit cell and are denoted by
convention as a, b, and c.

The angles between the axial lengths, known as the interaxial angles, are denoted by the
Greek letters α,β, and γ . By convention, α is the angle between the lengths b and c, β is
the angle between a and c, and γ is the angle between a and b
Directions in the Unit Cell
Miller indices for directions are the shorthand notation used to
describe these directions.

Procedure for finding the Miller indices :

1. Using a right-handed coordinate system, determine the coordinates of two

points that lie on the direction.

2. Subtract the coordinates of the “tail” point from the coordinates of the
“head” point to obtain the number of lattice parameters traveled in the
direction of each axis of the coordinate system.

3. Clear fractions and or reduce the results obtained from the subtraction to
lowest integers.

4. Enclose the numbers in square brackets [ ]. If a negative sign is produced,

represent the negative sign with a bar over the number.
Directions in the Unit Cell
Significance of Crystallographic Directions

It is much easier to magnetize iron in the [100] direction compared to

the [111] or [110] directions. This is why the grains in Fe-Si steels used
in magnetic applications (e.g., transformer cores) are oriented in the
[100] or equivalent directions
Planes in the Unit Cell

Certain planes of atoms in a crystal also carry particular significance. For

example, metals deform along planes of atoms that are most tightly packed
together. The surface energy of different faces of a crystal depends upon the
particular crystallographic planes. This becomes important in crystal growth.
In thin film growth of certain electronic materials (e.g., Si or GaAs), we need to
be sure the substrate is oriented in such a way that the thin film can grow on a
particular crystallographic plane

Miller indices are used as a shorthand notation to identify these

important planes, as described in the following procedure
Planes in the Unit Cell

1. Identify the points at which the plane intercepts the x, y, and z

coordinates in terms of the number of lattice parameters. If the plane
passes through the origin, the origin of the coordinate system must be
moved to that of an adjacent unit cell.

2. Take reciprocals of these intercepts.

3. Clear fractions but do not reduce to lowest integers.

4. Enclose the resulting numbers in parentheses (). Again, negative

numbers should be written with a bar over the number.
Planes in the Unit Cell
Crystalline Defects
Point Defects: Vacancies and Impurities
vacancy concentration

Point defects are localized

disruptions in otherwise
perfect atomic or ionic
arrangements in a crystal
A vacancy is produced
when an atom or an ion is Temperature greater than room temperature
missing from its normal site
in the crystal structure

Vacancies play an important

role in determining the rate
at which atoms or ions move
around or diffuse in a solid
material, especially in pure

Impurities are
elements or
compounds that are
present from raw
materials or

A substitutional defect
is introduced when one
atom or ion is replaced
by a different type of
atom or ion

An interstitial defect
is formed when an
extra atom or ion is
inserted into the
crystal structure at a
normally unoccupied
Crystalline Defects

Interstitial atoms such as hydrogen are often present as


Carbon atoms are intentionally added to iron to produce steel.

For small concentrations, carbon atoms occupy interstitial
sites in the iron crystal structure, introducing a stress in the
localized region of the crystal in their vicinity.

the introduction of interstitial atoms is one important way of

increasing the strength of metallic material
Point defects in ionic crystals

The missing of cation-

anion pair in an ionic When a host ion is displaced
crystal, is called a into an interstitial position,
Schottky defect. (which leaving a vacancy at its
may have migrated to the original site known as Frenkel
surface), so the neutrality defect,
is maintained

substitutional point
Schottky defects are
defect occurs when an
responsible for
ion of one charge
the major optical and
replaces an ion of a
electrical properties of
different charge.
alkali halide crystals
Line Defects: Edge and screw dislocations

A line defect is formed in a

crystal when an atomic plane
terminates within the crystal
instead of passing all the way to
the end of the crystal
Line Defects: Edge and screw dislocations

Screw dislocation, which is essentially a

shearing of one portion of the crystal
with respect to another, by one atomic

Dislocations increase the resistivity

of materials, cause significant
leakage current in a pn junction, and
give rise to unwanted noise in
various semiconductor devices.
Planar Defects: Grain boundaries

For electrical engineers, the

grain boundaries become
important when designing
electronic devices based on
polysilicon or any
polycrystalline semiconductor.
For example, in highly
polycrystalline materials,
particularly thin-film
(e.g., polysilicon), the resistivity
is invariably determined by
polycrystallinity, or grain
size, of the material.