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Class Notes
1. Introduction
Amorphous solids: Amorphous solid is a solid that exhibits no crystalline structure or long-range
order. It only possesses a short-range order in the sense that the nearest neighbors of an atom are well
defined by virtue of chemical bonding requirements. Glass is an amorphous solid which shows the
continuous random network structure of amorphous silicon dioxide.
4. Definition of crystal
Crystal is a three-dimensional periodic arrangement of atoms, molecules, or ions. A characteristic
property of the crystal structure is its periodicity and a degree of symmetry. For each atom, the number
of neighbors and their exact orientations are well defined; otherwise the periodicity will be lost.
Basis: Basis represents an atom, a molecule, or a collection of atoms, that is placed at each lattice
point to generate the true crystal structure of a substance. All crystals are thought of as a lattice with
each point occupied by a basis.
Unit cell: Unit cell is the most convenient small cell in a crystal structure that carries the
characteristics of the crystal. The repetition of the unit cell in three dimensions generates the whole
crystal structure.
All crystal structures can be described in terms of lattice and basis as depicted in the following figure.
Crystal = Lattice + Basis
6. Lattice parameters
As a convention, we generally represent the geometry of the unit cell as a parallelepiped with sides
a, b and c and angles , and as shown in the figure. The sides a, b and c and angles , and are
referred to as lattice parameters. To establish a reference frame and to apply three-dimensional
geometry, we insert a xyz coordinate system.
Figure: The seven crystal systems (unit cell geometries) and fourteen Bravais lattices.
8. Type of structures of a unit cell in terms of number of atoms and their position.
There may be three types of structures of a specific geometry of unit cell in terms of number of atoms
and their position in the crystal. They are called Simple, Face-centered and Body-centered. For
example, cubic unit cell has all the three structures namely:
Simple cubic (SC): When all the atoms take their position during solidification from gas or liquid
phases at the eight corners of the unit cell. Practically, there is no crystal with SC unit cell.
Face-centered Cubic (FCC): In FCC unit cell, atoms take their positions at eight corners as well as
one atom at the center of each of six faces. Cu has a FCC unit cell structure.
Body-centered Cubic (BCC): In BCC unit cell, atoms take their positions at eight corners as well as
one atom at the center of the body of unit cell. Fe has a BCC unit cell structure.
6
9. Determination of relation between atomic radius (R) and lattice parameter (a).
Relation between atomic radius (R) and lattice parameter (a) is calculated as follows for SC, FCC and
BDD unit cells.
7
𝑉𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑡𝑜𝑡𝑎𝑙 𝑎𝑡𝑜𝑚𝑠 𝑖𝑛 𝑎 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 𝑁𝑢𝑚𝑏𝑒𝑟 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 (𝑁) × 𝑉𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑎𝑡𝑜𝑚
APF = =
𝑉𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙 𝑉𝑜𝑙𝑢𝑚𝑒 𝑜𝑓 𝑢𝑛𝑖𝑡 𝑐𝑒𝑙𝑙
Let us, for example, determine the APF for SC unit cell. Note that atoms are always considered to be
a solid sphere. For SC unit cell, N = 1 and R = a/2.
Therefore, APF for SC unit cell:
4 4 𝑎 3
𝑁 × 𝜋𝑅 3 1 × 𝜋( )
3 2 4𝜋𝑎3
3
= = = 0.52 = 52%
𝑎3 𝑎3 3×8×𝑎3
Assignment: Determine APF for BCC and FCC unit cells and show that APF of FCC is greater
than BCC.
12. Table showing number of atoms, relation of ‘a’ with ‘R’ and Atomic Packing Factor or
Density.
8
13. Close-packed crystal structure (CP) and Hexagonal close-packed (HCP) crystal structure
The FCC crystal structure of Cu is known as a Close-packed (CP) crystal structure because the Cu
atoms are packed as closely as possible. The volume of the FCC unit cell is 74% full of atoms, which
is the maximum packing possible with identical spheres.
By comparison, iron has a body-centered cubic (BCC) crystal structure and its unit cell has Fe atoms
at its comers and one Fe atom at the center of the cell. The volume of the BCC unit cell is 68% full
of atoms, which is lower than the maximum possible packing.
However, the FCC crystal structure is only one way to pack the atoms as closely as possible. On the
other hand, in Zinc, the atoms are arranged as closely as possible in a hexagonal symmetry, to form
the Hexagonal close-packed (HCP) crystal structure. This structure corresponds to packing spheres
as closely as possible also makes 74% full of atoms.
Steps Action
1 Three coordinates x y z
2 Side parameters a b c
3 Intercepts x1 y1 z1
4 Clear fraction u v w
5 Indices with square bracket (without comma) [uvw]
4. Planner concentration
Planar concentration of atoms is the number of atoms per unit area, that is, the surface concentration
of atoms, on a given plane in the crystal.
Example 1.14.
Some of the Allotropic materials and their Allotropes are shown in the table below.
3. Classification of Defects
The defects exist in the crystal and their causes and impacts are summarized in the following table.
Grain boundary is a surface region between differently oriented adjacent grain crystals. The grain
boundary contains a lattice mismatch between adjacent grains.
The Drude model of electrical conduction was proposed in 1900 by Paul Drude to explain the
transport properties of electrons in metals.
Electrical conduction involves the motion of charges in a metal conduction under the influence of an
applied electric field. A conductor contains a large number of "free" or mobile charge carriers called
conduction electron that posses drift velocity with applied electric field.
Figure. Drift of electrons in a conductor in the presence of an applied electric field, Ex. Electrons drift
with an average velocity vdx in the x-direction.
Let us assume a net flow of electrons with an average drift velocity vdx in a conductor section of
cross-sectional area A in the presence of an applied field Ex in the –x direction. Notice that the
direction of electron motion is opposite to that of the electric field. Because, the electrons experience
a Coulombic force, eEx in the x direction. Also assume that the electrons travel a differential distance
dx at time dt.
The electric current density, Jx can be defined as the net amount of charge flowing across unit area
per unit time. That is,
1
Where 𝑣𝑑𝑥 = 𝑁 ∑𝑁 𝑖=1 𝑣𝑥𝑖
e = Charge of electron
n = Electron concentration (number of electrons per unit volume)
As the current might be time dependent, therefore we may write equation (1) as
Due to thermal force, electrons move randomly, colloid with vibrating atoms and ultimately posses
no velocity in any direction. Virtually, in the absence of an applied field there is no net drift in any
direction.
To calculate the drift velocity, vdx of the electrons due to applied field Ex, we first consider the velocity
vxi of the i-th electron in the x direction at time t. Suppose its last collision was at time ti; therefore,
for time (t - ti, ), it accelerated free of collisions, as indicated in the figure below.
Figure: Velocity gained in the x direction at time t from the electric field ((Ex) for three electrons.
There will be N electrons to consider in the metal.
Let uxi be the initial velocity of electron in the x direction just after the collision. The velocity vxi in
the x direction at time t will be
𝑒𝐸𝑥
𝑣𝑥𝑖 = 𝑢𝑥𝑖 + (𝑡 − 𝑡𝑖 ) ……(3)
𝑚𝑒
Equation (5) implies that drift velocity linearly dependent on applied electric field. From equation
(4) and (5), drift mobility can be expressed as
𝑒𝜏
𝜇𝑑 = …………….(6)
𝑚𝑒
From the expression for the drift velocity vdx, the current density Jx follows immediately by
substituting Equation (5) into (2) that is,
𝐽𝑥 = 𝑒𝑛𝜇𝑑 𝐸𝑥 ………………..(7)
Therefore, the current density is proportional to the electric field and the conductivity is the term
(Proportionality constant) multiplying Ex, that is,
𝜎 = 𝑒𝑛𝜇𝑑 …………………..(8)
Let’s an electron moving with a mean speed u is scattered when its path crosses the cross-sectional
area S of a scattering center (a vibrating atom, impurity, vacancy, or some other crystal defect) as
depicted in Figure 2.5.
Fig. 2.5. Scattering of an electron from the thermal vibrations of the atoms.
The electron travels a mean distance = u𝜏 between collisions. Since the scattering cross-sectional
area is S, in the volume s there must be at least one scatterer.
That is
Ns (Sl) = 1. [1]
Ns (Su) = 1. [3]
1
or, 𝜏 = [4]
𝑆𝑢𝑁𝑠
1
𝜏= [5]
𝜋𝑎2 𝑢𝑁𝑠
Now is considered that the mean speed, u is temperature independent, i. e. constant and the
concentration of scattering centers, 𝑁𝑠 is equal to the concentration of metal atoms that is also
constant.
1
𝜏∝ [6]
𝜋𝑎2
The thermal vibrations of the atom can be considered to be simple harmonic motion like a mass M
attached to a spring. From the kinetic theory of matter, the average kinetic energy of the oscillations
must be almost equal to half of the thermal voltage. That is
1 1
𝑀𝑎2 𝜔2 ≈ 𝑘𝑇 [7]
4 2
1 1
𝜏∝ ∞ [8]
𝜋𝑎2 𝑇
𝐶
or, 𝜏 = 𝑇 ; where C is a temperature independent constant.
𝑒𝜏
Now we know, mobility 𝜇𝑑 =
𝑚𝑒
𝑒𝐶
or, 𝜇𝑑 = [9]
𝑚𝑒 𝑇
1 1 𝑚𝑒 𝑇
Therefore, resistivity, 𝜌𝑇 = = =
𝜎𝑇 𝑒𝑛𝜇𝑑 𝑒 2 𝑛𝐶
or, 𝜌𝑇 = 𝐴𝑇 [10]
𝑚𝑒
where, temperature independent constant, 𝐴 =
𝑒 2 𝑛𝐶
Equation [10] shows that the resistivity of a pure metal wire increases linearly with the temperature.
21
The summation rule of resistivities in impure metal from different scattering mechanisms is called
Matthiessen's rule.
In impure metal such as alloy there exist two types of scattering mechanism that contributes for
effective resistivity. One of electron scatterings is due to atomic vibration of host atoms due to
temperature and another scattering is due to the electron collision with impurity atoms or with any
other defects that work as center of scattering. What actually scatters the electron is a local,
unexpected change in the potential energy PE of the electron as it approaches the impurity, because
the force experienced by the electron is given by-
𝑑(𝑃𝐸)
𝐹= − ………(1)
𝑑𝑥
Let us assume, 𝜏 𝑇 = Mean free time from thermal vibration of host atoms
𝜏𝐼 = Mean free time between scatterings from impurity atoms or other defects.
= Effective mean free time arises from both of the scattering mechanisms.
In general the effective mean free time between any two scattering events will be less than the
individual scattering times T and I. However, the net probability of scattering will be the summation
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of the probability of scattering from lattice vibrations alone, and the probability of scattering from
impurities alone. That is:
1 1 1
= +𝜏 ………………… (2)
𝜏 𝜏𝑇 𝐼
𝑒𝜏
Now, effective drift mobility is given by 𝜇𝑑 = 𝑚𝑒
𝜇 𝑚
or 𝜏 = 𝑑𝑒 𝑒
Putting the value of in equation (2) we get
1 1 1
= +𝜇
𝜇𝑑 𝜇𝐿 𝐼
where 𝜌𝑇 is defined as the resistivity due to scattering from thermal vibrations, and 𝜌𝐼 is the resistivity
due to scattering from impurities.
Where 𝜌𝑅 is called the residual resistivity and is due to the scattering of electrons by impurities,
dislocations, interstitial atoms, vacancies, grain boundaries, etc.
The residual resistivity 𝜌𝑅 shows very little temperature dependence, whereas 𝜌𝑇 = 𝐴𝑇. So the
effective resistivity is given by-
𝜌 = 𝐴𝑇 + 𝐵 ………..(5)
Equation (4) indicates that the resistivity of a metal varies almost linearly with the temperature, with
A and B depending on the material.
23
The temperature coefficient of resistivity (TCR), 𝛼0 is defined as the fractional change in the
resistivity per unit temperature increase at the reference temperature T0. That is-
1 𝑑𝜌
𝑎0 = [ ] ……………….(6)
𝜌0 𝑑𝑇 𝑇=𝑇0
where 𝑎0 is the resistivity at the reference temperature T0 and 𝛿𝜌 = 𝜌 − 𝜌0 is the change in the
resistivity due to a small increase in temperature, 𝛿𝑇 = 𝑇 − 𝑇0 .
When the resistivity follows the behavior, 𝜌 ≈ 𝐴𝑇 + 𝐵, then equation (5) leads to the well-known
equation,
𝜌 = 𝜌0 [1 + 𝛼0 (𝑇 − 𝑇0 )]
Frequently, the resistivity versus temperature behavior of pure metals can be empirically represented
by a power law of the form-
𝑇 𝑛
𝜌 = 𝜌0 [ ]
𝑇0
where 𝜌0 is the resistivity at the reference temperature 𝑇0 and n is a characteristic index of resistivity
that best fits the data.
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As an example of the resistivity of a solid solution, consider the copper- nickel alloy. The phase
diagram for this alloy system is shown in Figure (a) below. It is clear that the alloy forms a one-phase
solid solution for all compositions. Both Cu and Ni have the same FCC crystal structure, and since
the Cu atom is only slightly larger than the Ni atom by about ~3 percent, the Cu-Ni alloy will therefore
still be FCC.
When Ni is added to copper, the impurity resistivity 𝜌𝐼 will increase with the Ni concentration.
Experimental results for this alloy system are shown in Figure (b) below. It should be apparent that
when we reach 100% Ni, we again have a pure metal whose resistivity must be small. Therefore,
versus Ni concentration must pass through a maximum, which for the Cu-Ni alloy seems to be at
around ~50% Ni.
Nordheim's Rule:
An important semi-empirical equation that can be used to predict the resistivity of an alloy is
Nordheim's rule which relates the impurity resistivity 𝜌𝐼 to the atomic fraction X of solute atoms in a
solid solution, as follows:
𝜌𝐼 = 𝐶𝑋[1 − 𝑋] ……………………..(1)
where C is a constant termed the Nordheim coefficient, which represents the effectiveness of the
solute atom in increasing the resistivity. Nordheim's rule assumes that the solid solution has the solute
atoms randomly distributed in the lattice, and these random distributions of impurities cause the
electrons to become scattered as they move around the crystal.
Combining Matthiessen’s rule with Nordheim's rule, the resistivity of an alloy of composition
X is given by-
𝜌 = 𝜌𝑚𝑎𝑡𝑟𝑖𝑥 + 𝐶𝑋[1 − 𝑋] ………………(2)
where 𝜌𝑚𝑎𝑡𝑟𝑖𝑥 = 𝜌𝑇 + 𝜌𝑅 is the resistivity of the matrix due to scattering from thermal vibrations
and from other defects, in the absence of alloying elements. Note that the value of C depends on the
alloying element and the matrix.
In solid solutions, at some concentrations of certain binary alloys, such as 75% Cu-25% Au and 50%
Cu-50% Au, the annealed solid has an orderly structure; that is, the Cu and Au atoms are not randomly
mixed, but occupy regular sites. In fact, these compositions can be viewed as pure compound - like
the solids Cu3Au and CuAu. The resistivities of Cu3Au and CuAu will therefore be less than the same
composition random alloy that has been quenched from the melt. As a consequence, the resistivity
versus composition X curve does not follow the dashed parabolic curve throughout; rather, it exhibits
sharp falls at these special compositions, as illustrated in Figure below.
Figure: Electrical resistivity vs. composition at room temperature in Cu-Au alloys. The quenched
sample (dashed curve) is obtained by quenching the liquid, and the Cu and Au atoms are randomly
mixed. The resistivity obeys the Nordheim rule. When the quenched sample is annealed or the liquid
is slowly cooled (solid curve), certain compositions (Cu3Au and CuAu) result in an ordered
crystalline structure in which the Cu and Au atoms are positioned in an ordered fashion in the crystal
and the scattering effect is reduced.
26
Figure: Illustration of Hall effect. The externally applied magnetic field Bz is along the z direction.
Working principle:
The applied field, Ex drives a current Jx in the slab sample above. The electrons move in the –x
direction, with a drift velocity Vdx. Because of the magnetic field, Bz there will be the Lorentz force
acting on each electron and given by-
𝐹̅ = 𝑞𝑣̅ × 𝐵̅ ……………..(1)
or 𝐹𝑦 = −𝑒𝑣𝑑𝑥 𝐵𝑧 ……………..(2)
The direction of this Lorentz force is in the -y direction, which we can show by applying the corkscrew
rule. The Lorenz force pushes the electron in the –y direction which leads the negative charges to
accumulate in the –y direction and positive charges (ions) near the +y direction of the sample. The
separation of negative and positive charges results in Hall field EH acting in the –y direction. The
Hall field gives rise to Hall voltage VH between top and bottom of the slab. Electron accumulation
continues until Coulomb force is equal to Lorenz force, that is –
𝑒𝐸𝐻 = 𝑒𝑣𝑑𝑥 𝐵𝑧 ………………..(3)
1
or, 𝐸𝐻 = 𝑒𝑛 𝐽𝑥 𝐵𝑧 [ as 𝐽𝑥 = 𝑒𝑛𝑣𝑑𝑥 ]
27
𝐸𝐻 1
or = …………..…………(4)
𝐽𝑥 𝐵𝑧 𝑒𝑛
The quantity RH measures the resulting Hall field, along y, per unit transverse applied current and
magnetic field.
1
As EH = -Ey , we get from equation (4), 𝑅𝐻 = − 𝑒𝑛
Since RH depends inversely on the free electron concentration, its value in metals is much less than
that in semiconductors.
Applications
• The Hall Effect sensor device (Magnetometer: to measure or detect the magnetic fields).
• The Hall Effect electronic switch (Magnetically actuated electronic switches).
Advantages
• No need electrical contact for magnetic measurements.
• Hall effect devices are immune to dust, dirt, mud and water.
• No additional resistance (a shunt, required for the most common current sensing method) need
be inserted in the primary circuit.
• The voltage present on the line to be sensed is not transmitted to the sensor, which enhances the
safety of measuring equipment.
• Hall Effect semiconductor devices are cheap, light and reliable
28
Figure 1. This is the classical view of light as an electromagnetic wave. An electromagnetic wave is
a travelling wave with time-varying electric and magnetic fields that are perpendicular to each other
and to the direction of propagation.
Where, k = Wave number (propagation constant) related to the wavelength, λ by k = 2π/λ.
ω = Angular frequency of the wave (𝜔 = 2𝜋𝜈) where is the frequency). A similar equation
describes the variation of the magnetic field Bz (directed along z) with x at any time t.
𝜔
The velocity of the wave (strictly the phase velocity) is 𝑐 = 𝑘 = 𝑣𝜆 where v is the frequency. The
intensity I, that is, the energy flowing per unit area per second can be given by:
1
𝐼 = 𝑐𝜀0 𝐸02
2
where 𝜀0 is the absolute permittivity (permittivity of free space).
2. Light as a Particle
Aside from exhibiting wave-like properties, light can behave like a stream of "particles" of zero rest-
mass. As it turns out, the only way to explain a vast number of experiments is to view light as a stream
of discrete entities or energy packets called photons, each carrying a quantum of energy ℎ𝜈, and
momentum h/λ, where h is a universal constant that can be determined experimentally, and v is the
29
frequency of light. This photonic view of light is drastically different than the simple wave picture
and must be examined closely to understand its origin.
Energy of Light,
𝐸 = 𝑛ℎ𝑣
Where, E is the total energy of light carrying n number of photons each having energy ℎ𝜈.
Now let us consider a quartz glass vacuum tube with two metal electrodes, a photocathode and an
anode, which are connected externally to a voltage supply V (variable and reversible) via an ammeter,
as schematically illustrated in Figure 3.4.
1. When V = 0
i) For hv < hv0 : Photons cannot pull out electrons from metal and as a result there will be no current.
ii) For hv = hv0 : Potons can pull out electrons from metal but the electrons will have no kinetic energy
as a result there will be no current.
ii) For hv > hv0 : Photons can pull out electrons from metal and the electrons will have kinetic energy
to reach the anode. As a result they can reach the Anode and there will be a finite current.
ii) For hv = hv0 : Photons can pull out electrons from metal and the electrons will have kinetic energy
gained from the applied potential difference as a result there will be a finite current.
ii) For hv > hv0 : Photons can pull out electrons from metal and the electrons will have kinetic energy
gained from both the extra energy of each photon and the applied potential difference. As a result
they can reach the anode and there will be a finite current higher than case (ii).
ii) For hv = hv0 : Photons can pull out electrons from metal but the electrons will not have any kinetic
energy gained from the applied potential difference. Because, the applied potential difference is in
opposite direction i.e. from anode to cathode. As a result there will be no current.
ii) For hv > hv0 : Photons can pull out electrons from metal and the electrons will have kinetic energy
gained from the extra energy of each photon. But as the applied potential difference is in opposite
direction, it will push electrons in the opposite direction i.e. from anode to cathode.
So if KE < |eV| there will be no current and if KE > |eV| there will be a finite current. The value of
voltage V0 for which |eV0| = KE is known as Critical voltage. (See Figure 3.5 (a))
Figure 3.5 (a) Photoelectric current vs. voltage when the cathode is illuminated with light of identical
wavelength but different intensities (I). The saturation current is proportional to the light intensity.
Figure 3.5 (b) The stopping voltage and therefore the maximum kinetic energy of the emitted electron
increases with the frequency of light . (Note: The light intensity is not the same but saturation current
is adjusted to be the same).
When the negative anode voltage V is equal to V0 which just "extinguishes" the current I, we know
that the potential energy "gained" by the electron is just the kinetic energy lost by the electron, or
1
𝑒𝑉0 = 𝑚𝑒 𝑣 2 = 𝐾𝐸𝑚
2
where v is the velocity and KEm is the maximum kinetic energy of the electron just after
photoemission.
32
As we know Einstein proposed that light consists of "energy packets," each of which has the
magnitude hv. We can call these energy quanta photons. When one photon strikes an electron, its
energy is transferred to the electron. The whole photon becomes absorbed by the electron. Yet, an
electron in a metal is in a lower state of potential energy (PE) than in vacuum, by an amount , which
we call the Work function of the metal, as illustrated in Figure 3.7.
Figure 3.7 The PE of an electron inside the metal is lower than outside by an energy called the work
function of the metal. Work must be done to remove the electron from the metal.
The lower PE is what keeps the electron in the metal; otherwise, it would "drop out." This lower PE
is a result of the Coulombic attraction-interaction between the electron and the positive metal ions.
Some of the photon energy hv therefore goes toward overcoming this PE barrier. The energy that is
left (hv - ) gives the electron its KE. Inasmuch as depends on the metal, so does v0 Therefore, in
Einstein's interpretation hv0 = .
33
Figure. Diffraction involves X-ray waves being reflected by various atomic planes in the crystal.
For simplicity, consider two waves, A and B, in an X-ray beam. Suppose that wave A is "reflected"
from the first plane of atoms in the crystal, whereas wave B is "reflected" from the second plane.
After reflection, wave B has traveled an additional distance equivalent to 2𝑑𝑠𝑖𝑛θ before reaching
wave A. The path difference between the two waves is 2𝑑sinθ where d is the separation of the atomic
planes. For constructive interference, 2𝑑sinθ must be equal to 𝑛𝜆, where n is an integer. Otherwise,
waves A and B will interfere destructively and will cancel each other. Waves reflected from adjacent
atomic planes interfere constructively to constitute a diffracted beam only when the path difference
between the waves is an integer multiple of the wavelength, and this will only be the case for certain
directions. Therefore the condition for the existence of a diffracted beam is:
The condition expressed in Equation 3.3, for observing a diffracted beam, forms the whole basis for
identifying and studying various crystal structures. The equation is referred to as Bragg's law, and
arises from the constructive interference of waves.
The Bragg’s law is the basis for identifying and studying various crystal structures. The instrument
that allows this type of X-ray diffraction study is called a Diffractometer (Figure a). Whenever the
angle satisfies the Bragg law for a given set of atomic planes, with Miller indices (hkl) and with an
inter-planar separation dhkl, there is a diffracted beam. An X-ray detector placed at an angle 2 with
respect to the through-beam will register a peak in the detected X-ray intensity, as shown in Figure b.
34
The variation of the detected intensity with the diffraction angle 2 represents the diffraction pattern
of the crystal. The particular diffraction pattern depicted in Figure 4(b) is for aluminum, an FCC
crystal. Different crystals exhibit different diffraction patterns.
In the case of cubic crystals, the interplanar spacing d is related to the Miller indices of a
plane (hkl). The separation dhkl between adjacent (hkl) planes is given by:
𝑎
𝑑ℎ𝑘𝑙 = √ℎ2 [A.2]
+𝑘 2 +𝑙2
Since the electron now also has a momentum pe, then from the conservation of linear momentum
law, we are forced to accept that the X-ray also has a momentum. The Compton effect experiments
showed that the momentum of the photon is related to its wavelength by:
ℎ
𝑝 =
𝜆
36
We see that a photon not only has an energy hv, but also a momentum p, and it interacts as if it were
a discrete entity like a particle.
We should mention that the description of the Compton effect is, in fact, the inference from a more
practical experiment involving the scattering of X-rays from a metal target. A collimated
monochromatic beam of X-rays of wavelength strikes a conducting target, such as graphite, as
illustrated in Figure 3.10a. A conducting target contains a large number of nearly "free" electrons
(conduction electrons), which can scatter the X-rays. The scattered X-rays are detected at various
angles with respect to the original direction, and their wavelength ’ is measured. The result of the
experiment is therefore the scattered wavelength k' measured at various scattering angles , as shown
in Figure 3.10b.
The photoelectric experiment and the Compton effect are just two convincing experiments in modem
physics that force us to accept that light can have particle-like properties.
When the interference and diffraction experiments are repeated with an electron beam, very similar
results are found to those obtained with light and X-rays. When we use an electron beam in Young's
double-slit experiment, we observe high- and low-intensity regions (i.e. Young's fringes), as
illustrated in Figure 3.12.
The interference pattern is viewed on a fluorescent TV screen. When an energetic electron beam hits
an Al polycrystalline sample, it produces diffraction rings on a fluorescent screen (Figure 3.13), just
like X-rays do on a photographic plate. The diffraction pattern obtained with an electron beam (Figure
37
3.13) means that the electrons are obeying the Bragg diffraction condition 2d sin = n just as much
as the X-ray waves.
Since we know the inter-atomic spacing d and we can measure the angle of diffraction 2, we can
readily evaluate the wavelength associated with the wave-like behavior of the electrons.
Furthermore, from the accelerating voltage V in the electron tube, we can also determine the
momentum of the electrons, because the kinetic energy gained by the electrons, (p2/2me), is equal to
eV. Simply by adjusting the accelerating voltage V, we can therefore study how the wavelength of the
electron depends on the momentum.
As a result of such studies and other similar experiments, it has been found that an electron traveling
with a momentum p behaves like a wave of wavelength given by:
ℎ
𝜆=
𝑝
This is just the reverse of the equation for the momentum of a photon given its wavelength. The same
equation therefore relates wave-like and particle-like properties to and from each other. Thus,
ℎ ℎ
𝜆=𝑝 or 𝑝=𝜆
𝑑2 𝛹(𝑥) 2𝑚
+ 2 (𝐸 − 𝑉)𝛹(𝑥) = 0
𝑑𝑥 2 ℎ̅
where m is the mass of the particle. This is a second-order differential equation. It should be
reemphasized that the potential energy experienced by the particle, V depends only on x. and E is the
energy of the particle. The term ℎ̅ is called modified Plank’s constant, h/2
3.22. Probability Density Function: The total wave function 𝜓(𝑥, 𝑡) is the product of position
dependent function and time dependent function.
That is 𝜓(𝑥, 𝑡) = 𝜓(𝑥)𝜙(𝑡) = 𝜓(𝑥)exp(−jωt) …….(1)
Where 𝜓(𝑥) is the particle’s wave function and describes only the spatial variation. Since the total
wave function 𝜓(𝑥, 𝑡) is a complex function it cannot by itself represent a real physical quantity.
That’s why the probability of finding the particle between x and x + dx at a given time is called
Probability Density Function and defined by
|𝜓(𝑥, 𝑡)|2 = 𝜓(𝑥, 𝑡). 𝜓 ∗ (𝑥, 𝑡)………..(2)
Where 𝜓 ∗ (𝑥, 𝑡) is the complex conjugate function. Therefore
𝜓 ∗ (𝑥, 𝑡) = 𝜓 ∗ (𝑥). 𝑒𝑥𝑝∗ (−𝑗𝜔𝑡) …………..(3)
Therefore, from equation (1), (2) and (3) we have
|𝜓(𝑥, 𝑡)|2 = 𝜓(𝑥). 𝜓 ∗ (𝑥) = |𝜓(𝑥)|2 ……(4)
The probability density function is steady state and independent of time.
Now for single particle we must have
∝
∫−∝|𝜓(𝑥)|2 𝑑𝑥 = 1 …………..(5)
𝑑2 𝛹(𝑥) 2𝑚
+ ℎ̅2 (𝐸 − 𝑉(𝑥))𝛹(𝑥) = 0…….(1)
𝑑𝑥 2
Since the electron is free in s free space, there is no potential. That is V(x) is zero.
Therefore we have,
𝑑2 𝛹(𝑥) 2𝑚
+ ̅2
𝐸𝛹(𝑥) = 0…….(2)
𝑑𝑥 2 ℎ
2𝑚
Let’s define the term ̅2
𝐸 = 𝑘 2 ……. (3)
ℎ
𝑑2 𝛹(𝑥)
And we get + 𝑘 2 𝛹(𝑥) = 0……..(4)
𝑑𝑥 2
̅𝑘)2
(ℎ
The energy of the electron is simply kinetic energy, KE = E = 2𝑚 [From (3)]
When we compare this with the classical physics expression KE = p2/2m, we see that the
momentum is given by,
𝑝 = ℎ̅𝑘 or p = h/This is the de Broglie relationship.
The probability distribution for the electron is |𝜓(𝑥)|2 = |𝐴 exp𝑗(𝑘𝑥)|2 = 𝐴2
Which is constant over the entire space. Thus the electron can be anywhere between x = - ∝ and x =
+ ∝ . The uncertainty △ 𝑥 in its position is infinite. Since the electron has a well defined wave number
k, its momentum p is also well-defined by virtue of 𝑝 = ℎ̅k . The uncertainty △ 𝑝 in its momentum
is thus zero.
𝑑2 𝛹(𝑥) 2𝑚
Therefore, in the region 0 < x < a + ̅2
𝐸𝛹(𝑥) = 0…….(1)
𝑑𝑥 2 ℎ
This is a second order linear differential equation. As a general solution we can take
One boundary condition is that the wave function must be continuous so that
𝜓(𝑥 = 0) = 𝜓(𝑥 = 𝑎) = 0
2𝑚
−2𝐴𝑗𝑘 2 (sin 𝑘𝑥) + ( ) 𝐸(2𝐴𝑗 sin 𝑘𝑥) = 0
ℎ̅2
̅2 𝑘 2
ℎ
Or, 𝐸= ……………..(4)
2𝑚
Since the electron has no PE within the well, its total energy E is kinetic energy KE, and we can
write
𝑝2
𝐸 = 𝐾𝐸 = 2𝑚 …………(5) where p is momentum of electron.
Now from equation (4) and (5) we conclude 𝑝 = ∓ℎ̅𝑘
The momentum p may be in the +x direction or the -x direction (which is the reason for ±), so the
average momentum is actually zero, p = 0.
Now the constant k here is a wave number-type quantity and its value is determined by the boundary
condition at x = a, where 𝜓(𝑥) = 0
This equation is only valid if (ka = nwhere the parameter n is a positive integer (n = 1, 2, 3 ). The
parameter n is referred to as a quantum number. We exclude n = 0 because it will result in 𝜓(𝑥) = 0
everywhere (no electron at all).
which is called an Eigen function. For each n, there is one special k value and hence a special energy
value
̅2 𝑘 2
ℎ ̅ 2 𝑛2 𝜋 2
ℎ
𝐸 = 𝐸𝑛 = = …………..(8)
2𝑚 2𝑚𝑎2
This energies En defined with n = 1, 2, 3 ... are called Eigen-energies of the system.
This solution represents the electron in the infinite potential well and is a standing wave solution.
We can now summarize the behavior of an electron in a one-dimensional PE well and its wave-
function and energy are shown as in Figure 3.15 below.
41
Figure 3.15. The energy of the electron is quantized. Possible wave functions and the probability
distributions for the electron are shown.
4 Insulator is used for resisting current of Dielectric is used for resisting both of current
the line and voltage of the line
5 All insulators are not dielectrics But all dielectrics are insulators
Figure 7.1
(a) Parallel plate capacitor with free space between the plates.
(b) As a slab of insulating material is inserted between the plates, there is an external current flow
indicating that more charge is stored on the plates.
(c) The capacitance has been increased due to the insertion of a medium between the plates.
𝑄0
𝐶0 = ………………(1)
𝑉
The electric field E between the plates is just V/d, where d is the separation of the plates.
Now let us insert a dielectric slab (an insulator as well) into the parallel plate capacitor, as shown in
Figure 7.1b and 7.1c with V keeping the same. During the insertion of the dielectric slab, there is an
external current flow that indicates that there is additional charge being stored on the plates. The
charge on the electrodes increases from Q0 to Q. Accordingly the capacitance of the system in Figure
7.1c is also increased from C0 to C.
Therefore the relative permittivity (or the dielectric constant), r is defined to reflect this increase in
the capacitance or the charge storage ability by virtue of having a dielectric medium.
By definition
𝑄 𝐶
𝜀𝑟 = 𝑄 = 𝐶 ……….(2)
0 0
The increase in the stored charge is due to the polarization of the dielectric by the applied field E.
44
When an Electric Field is applied to an atom of dielectric material, negatively charged electron
displaces opposite to electric field and positively charged nucleus displaces in the direction of electric
field which results in electric dipole within the atom. Electronic polarization is shown in the figure
below.
E
_ +
- _ a + +
Q _ + Q
Dipole moment is the measurement of polarization which is expressed as the total polarized charge
multiplied by the separation between a negative and positive charge of equal magnitude Q as shown
in Figure below.
If a is the separation vector from the negative to the positive charge, the electric dipole moment, p is
defined as a vector by-
𝐩 = 𝑄𝐚 ……………….(1)
An atom is said to be polarized if it possesses an effective dipole moment. The induced dipole moment
depends on the electric field causing it.
45
3. Define Polarizability.
The induced dipole moment depends on the electric field causing it. In fact, induced dipole moment,
p is proportional to applied electric field, E causing the dipole. The proportionality constant or
coefficient is called the Polarizability of the atom. That is-
𝐩 = 𝛼𝐄
or
𝐩
𝛼=𝐄 ……(1)
It depends on the polarization mechanism. Since the polarization of a neutral atom involves the
displacement of electrons, is called electronic polarization and denoted as e.
4. Deduce the expression of Electronic dipole moment, Polarization resonance frequency and
Electronic polarizability.
In the absence of an electric field, the center of mass of the orbital motions of the electrons coincides
with the positively charged nucleus and as a result the electronic dipole moment becomes zero.
Suppose that the atom has Z number of electrons orbiting the nucleus. When an electric field E is
applied, the light electrons become displaced in the opposite direction to E, so their center of mass C
is shifted by some distance x with respect to the nucleus o, which we take to be the origin, as shown
in Figure above.
As the electrons are "pushed" away by the applied field, the Coulombic attraction between the
electrons and nuclear charge "pulls in" the electrons.
The separation force, Fs on the electrons due to E is defined by the product of total charge and field.
That is -
46
Fs = ZeE … …...(2)
The restoring force Fr, which is the Coulombic attractive force between the electrons and the nucleus
can be taken to be proportional to the displacement x. That is-
𝐹𝑟 ∝ 𝑥
Or 𝐹𝑟 = −𝛽𝑥 …….(3)
where is a constant and the negative sign indicates that Fr is always directed toward the nucleus O.
In equilibrium, the net force on the negative charge is zero. That is –
𝑍𝑒𝐸 = 𝛽𝑥 ………….(4)
𝑍𝑒𝐸
Or 𝑥= ………..(5)
𝛽
𝑍2𝑒2
Now electronic dipole moment, 𝐩𝑒 = (𝑍𝑒)𝑥 = 𝐸 ……………(6)
𝛽
If we remove the applied electric field polarizing the atom, then only the restoring force, Fr will be
acting to pull the electrons toward the nucleus O.
The equation of motion of the negative charge center is then:
𝑑2 𝑥
That is – 𝛽𝑥 = 𝑍𝑚 𝑑𝑡 2
𝑑2 𝑥
or 𝑍𝑚 𝑑𝑡 2 + 𝛽𝑥 = 0
𝑑2 𝑥 𝛽
or + 𝑍𝑚 𝑥 = 0 ………..(7)
𝑑𝑡 2
𝛽
let, = 𝜔0 2 …………..(8)
𝑍𝑚
𝑑2 𝑥
+ 𝜔0 2 𝑥 = 0 …………..(9)
𝑑𝑡 2
Where 𝜔0 is the oscillation frequency or Electronic polarization resonance frequency and defined as-
1
𝛽 2
𝜔0 = (𝑍𝑚) [from equation (8)]
47
After the removal of the field, the electronic charge cloud executes simple harmonic motion about the
nucleus with a natural frequency 𝜔0 called the electronic polarization resonance frequency.
The acceleration of electronic charge cloud is calculated from equation (10) as:
𝑑2 𝑥
= −𝑥0 𝜔0 2 𝐶𝑜𝑠(𝜔0 𝑡) …………..(11)
𝑑𝑡 2
𝐩𝑒 𝑍2𝑒2 𝑍 2𝑒 2 𝑍𝑒 2
𝛼𝑒 = = 𝐸 = 𝑍𝑚𝜔2 = 𝑚𝜔2 [from equation 6 and 8]
𝐸 𝐸𝛽 0 0
Example: 7.1