Materials
EE 3219
METAL
ATOMIC NON-ATOMIC
SEMI-METAL BAND STRUCTURE
SEMI-CONDUCTOR
INSULATOR STATE / VISCOSITY
LIQUID
GAS SOLID LIQUID CRYSTALS
STRUCTURE
NANO-QUASICRYSTALS NANOCRYSTALS
Solids
STRUCTURE OF SOLIDS
repulsion
Potential Energy, E
0
attraction
equilibrium
Typical potential between two atoms
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:
or simply:
−a b
V (=
r) m
+ n
r r
V(r): the net potential energy of interaction as function of r
•Secondary Bonding
Van der Waals
Hydrogen bond
Na Cl
NaCl
• 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.
e
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.
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 BONDING
• Metallic structures are typically rather empty (having
large internuclear spacings) and prefer lattice
arrangements in which each atom has many nearest
neighbors.
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.
Cleaving a
Crystal
Elementary Crystallography
Solid Material
Types
Single
Crystals
Crystalline Solids
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
boundaries.
• 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
nanocrystallites.
Polycrystalline
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”
an Infinite Array of y
Points in Space
B C
in which each point has b α
D E
identical surroundings
to all others. The points O a A x
Lattice →
Basis Crystal
↓ Structure
↓
Lattice →
A Two-Dimensional (Bravais) Lattice
with Different Choices for the Basis
The atoms do not necessarily lie at lattice
points!!
Crystal Structure = Lattice + Basis
Basis
↓
Crystal →
Structure
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
Simple cubic (SC), face-centered cubic (FCC), and body-centered cubic (BCC)
Note that for each unit cell, there is only one quarter of an atom at
each corner in two dimensions.
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.
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.
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
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.
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
Impurities are
elements or
compounds that are
present from raw
materials or
processing.
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 position
Crystalline Defects
In terms of electrical properties, the materials can be divided into three groups
(1) conductors (2) semi conductors and (3) dielectrics (or) insulators.
Electric current
The rate of flow of charge through a conductor is
known as the current. If a charge ‘dq’ flows through the
conductor for ‘dt’ second then
dq
Electric current (I)=
dt
Ohm’s law
Resistance of a conductor
The resistance (R) of a conductor is the ratio of the
potential difference (V) applied to the conductor to the
current (I) that passes through it.
V
Resistance ( R ) =
I
15 12 9 6 3 −3 −6
10 10 10 10 10 1 10 10
−15 −12 −9 −6 −3 3 6
10 10 10 10 10 1 10 10
( ohm − 1 metre −1
)
Conductors
The materials that conduct electricity when an
electrical potential difference is applied across them are
conductors.
A
ρ=R ohm metre
L
Q
t
=
L I
∴σ =
I
=
( ) ( ) ( )
V A V A V
L L
A
Free Electron Theory
Fourier's law. The law of heat conduction, also known as Fourier's law,
states that the time rate of heat transfer through a material is
proportional to the negative gradient in the temperature and to the area,
at right angles to that gradient, through which the heat flows.
Thermal Conductivity
Wiedemann-Franz-Lorenz law
Thermal Resistance
Electrical Engineering
Materials
EE 3219
Any object with a temperature above absolute zero emits light at all
wavelengths. If the object is perfectly black (so it doesn't reflect any
light), then the light that comes from it is called blackbody radiation.
An opaque object emits electromagnetic radiation
according to its temperature
• Rayleigh-Jeans law
works for low
frequencies, it
diverges at high
Now recall that heat is just the kinetic energy of random motion. In a hot object, electrons
vibrate in random directions and produce light as a result. A hotter object means more energetic
vibrations and so more light is emitted by a hotter object --- it glows brighter. So far, so good.
But classical physics could not explain the shape of the blackbody spectrum.
The electrons in a hot object can vibrate with a range of frequencies, ranging from very few
vibrations per second to a huge number of vibrations per second. In fact, there is no limit to
how great the frequency can be. Classical physics said that each frequency of vibration should
have the same energy. Since there is no limit to how great the frequency can be, there is no
limit to the energy of the vibrating electrons at high frequencies. This means that, according to
classical physics, there should be no limit to the energy of the light produced by the electrons
vibrating at high frequencies. WRONG!!Experimentally, the blackbody spectrum always
becomes small at the left-hand side (short wavelength, high frequency).
Planck’s Theory
Planck said that energy is not shared equally by electrons that vibrate with
different frequencies. Planck said that energy comes in clumps. He called a
clump of energy a quantum
E = hf
where h,=6 x 10-34, very tiny!
Using the idea that light is a wave with the energy distributed evenly throughout the wave,
classical physicists expected that when using very dim light, it would take some time for
enough light energy to build up to eject an electron from a metallic surface. WRONG!!
Experiments show that if light of a certain frequency can eject electrons from a metal, it
makes no difference how dim the light is. There is never a time delay.
Einstein to the Rescue
Refraction
Interference
Diffraction
Polarization
Photoelectric effect
Compton scattering
Particles may behave sometimes like waves (de Broglie waves with λ
= h/p).
3.1 Definitions
P(x) ∝ |ψ(x)|2 dx
probability density
∴ Quantization of ψ ⇒ Quantization of E
Heisenberg Uncertainty Principle
If we use a very energetic photon, i.e., one that has lots of momentum, it is
possible to get a very good estimate of the electron's position because the
photon's direction will be relatively unaltered by scattering off of the
electron. However, it will give it an abrupt kick and vastly disturb our
knowledge of its momentum.
On the other hand, a low energy, or low momentum photon, will not
disturb the electrons momentum very much, but because of its low
momentum, it will also have a long wavelength, and this will make it bend
around the electron so that the electron's position will be poorly known.
This is how it works.
Heisenberg Uncertainty Principle
The uncertainty principle states that the position and velocity cannot both
be measured, exactly, at the same time (actually pairs of position, energy
and time
Electrical Engineering
Materials
EE 3219
• Where the potential is zero inside the box, the Schrödinger wave
• The Schrödinger equation outside the finite well in regions I and III is
or using
and the wave function must be smooth where the regions meet.
The bonding orbital shows a local minimum in the wavefunction but the
function does not go to zero. Thus there is a finite probability of finding the
electron between the 2 atoms. The anti-bonding orbital wavefuntion goes to
zero hence the probability of finding the electron between the 2 atoms is zero.
This is called a node.
Molecular orbital formation
Figure 1.3: (a) Energy vs. bond length plot for 2 H atoms. (b) The schematic
representation of the formation of the H2 molecule. Both electrons go to the
bonding orbital while the anti-bonding orbital is empty.
Figure 1.4: MOs formed when 3 H atoms come together. The number of nodes
increases while the stability decreases. The configuration with the lowest number of
nodes is most stable.
Figure 1.6: Energy vs. bond length diagram for N Li atoms. There are a total of 2N
energy states (including spin) out of which N are occupied, half full. This makes Li
a metal
Figure 1.7: Energy vs. bond length
diagram for large values of N showing
a continuous band formation. The
overlap between the 2s, 2p, and 3s
levels are also shown
E
Calculation of Effective mass from E-K Diagram
Date, location
Classes of nanomaterials
Date, location
NanoZnO – One Chemistry, Many Shapes
Examples:
– Amorphous silica fume (nano-silica) in Ultra High
Performance Concrete – this silica is normally
thought to have the same human risk factors as
non‐nano non‐toxic silica dust
– Nano platinum or palladium in vehicle catalytic
converters - higher surface area to volume of
particle gives increased reactivity and therefore
increased efficiency
– Crystalline silica fume is used as an additive in
paints or coatings, giving e.g. self-cleaning
characteristics – it has a needle-like structure and
sharp edges so is very toxic and is known to
cause silicosis upon occupational exposure
Nanotechnology spans many Areas
Advance
Materials &
Textiles NANOTECHNOLOGY National
Security &
Defense
Energy &
Environment
Food and
Aerospace Medicine Agriculture
/
Health
2- Applications of Nanotechnology:
2.1 General Applications
Application Examples
Environment
2.2- Environmental Applications
Check http://www.nanowerk.com/products/product.php?id=160 for more details
Application Examples
Remediation (decontamination, oil spill Heavy metal decontaminant removes heavy metals
management) such as lead, cadmium, nickel, zinc, copper,
manganese and cobalt in a neutral pH environment
without using any form of sulphur .