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• A potential well is a potential energy function

that has a minimum
• If a particle is left in the well with energy less
than the height of the potential well, we say that
the particle is trapped in a potential well
• In quantum mechanics, such a trapped state is
called as a bound state

• Let us consider a particle confined to the region

• It means that in the region and

rises to infinity
• This situation is called a one-dimensional
potential box 2
The Schrodinger equation for a particle trapped in a one-dimensional potential box, V=0 is

−− −❶

Where
As particle can move back and forth freely between and
the solution of the equation (1) can be given as

−− −❷

We can evaluate the constants A and B with the help of boundary conditions

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Applying 1st boundary condition ψ 𝑥 = 0 𝑎𝑡 𝑥 = 0
∴𝜓 =𝐴+𝐵 =0 𝜓(𝑥) = 𝐴𝑒 + 𝐵𝑒
⇒ 𝐵 = −𝐴 −− −❷
Putting in equation (2)
𝜓 𝑥 = 𝐴(𝑒 −𝑒 )
𝝍 𝒙 = 𝟐𝒊𝑨𝒔𝒊𝒏 𝒌𝒙 ∵ 𝑒 = 𝑐𝑜𝑠𝑥 + 𝑖𝑠𝑖𝑛𝑥
Applying 2nd boundary condition ψ 𝑥 = 0 𝑎𝑡 𝑥 = 𝐿
∴ 𝜓 = 2𝑖𝐴 sin 𝑘𝐿
2𝑖𝐴 sin 𝑘𝐿 = 0
The factor 2iA can not be zero, as it may result in loosing the wave function
∴ sin 𝑘𝐿 = 0
𝑜𝑟 𝑘𝐿 = 𝑛𝜋
𝟐𝑳
As 𝑘 = ⇒ 𝝀= 𝒏
−− −❸

Where n=1,2,3… is an integer

It implies that the wave equation has a solutions only when the particle wavelength is restricted to desecrate
values such that only a whole number of half wavelengths are formed over the length L
𝒏𝝅
It means that particle waves form standing wave pattern within the potential box ⇒ 𝒌 = 𝑳
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i) The possible values of momentum of the particle are given
by

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−− −❸

ii) The possible values of energies are

𝟐 𝟐 −− −❺
𝟐

This indicates that particle confined in a certain region can have

certain desecrate values of energy only.
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The allowed wave function which are the solutions of the Schrodinger equation are given by
𝜓 = 2𝑖𝐴 sin 𝑘𝑥 = 𝐶𝑠𝑖𝑛 𝑘𝑥
𝒏𝝅
𝜓 = 𝐶𝑠𝑖𝑛 −− − 6 ∵𝒌= 𝑳
,
Applying normalization condition, we can determine the value of constant C
𝜓 𝜓 ∗ 𝑑𝑥 = 1

𝑛𝜋𝑥
∴ 𝐶 𝑠𝑖𝑛 𝑑𝑥 = 1
𝐿

𝐶 2𝑛𝜋𝑥
1 − 𝑐𝑜𝑠 𝑑𝑥 = 1
2 𝐿
2𝑛𝜋𝑥
𝐶 𝑠𝑖𝑛
𝑥− 𝐿 = 1
2 2𝑛𝜋
𝐿
𝐿 2 2
∴ 𝐶 =1 ⇒ 𝐶 = ⇒ 𝐶=
2 𝐿 𝐿

𝟐 𝒏𝝅𝒙
Equation (6) can be written as 𝝍𝒏 = 𝒔𝒊𝒏
𝑳 𝑳
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This is a normalized wave function of a particle in an infinite potential well
The allowed energy states are given by
𝟐
𝟐
𝒏 𝟐

Where n is a quantum number given by n = 1,2,3….

First energy level n=1

Second energy level n=2

Third energy level n=3

Energy levels in the potential well

And so on….
A particle can not have a zero energy. The minimum energy allowed
for a particle is 7
• The probability of finding the particle over a infinitesimal distance at position
in the potential well is
𝑃 𝑥 𝑑𝑥 = 𝜓 𝑑𝑥
2 𝑛𝜋𝑥
= 𝑠𝑖𝑛 𝑑𝑥 𝟐 𝒏𝝅𝒙
𝐿 𝐿 ∵ 𝝍𝒏 = 𝒔𝒊𝒏
𝑳 𝑳
• The probability density is given by
2 𝑛𝜋𝑥
𝑃(𝑥) = 𝑠𝑖𝑛 𝑑𝑥
𝐿 𝐿

The probability density is maximum when

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Zero-Point Energy (ZPE) is the lowest possible energy that a quantum mechanical system can have, even at absolute zero
temperature

In classical physics, a particle at rest can have zero energy.

In quantum mechanics, this is not possible because of the Heisenberg Uncertainty Principle. A particle cannot
have both perfectly definite position and zero momentum simultaneously. Therefore, it must always possess some
minimum residual energy.

Physical Meaning
•The particle is never completely at rest.
•Even at absolute zero, microscopic systems still have
motion or vibration.
•It is a purely quantum effect with no classical
counterpart.
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Example 4. A particle moving in one-dimensional potential box (of infinite height) of width 25Å. Calculate the
probability of finding the particle within an interval of 5Å at the centres of the box when it is in state of least
energy.

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Example 4. A particle moving in one-dimensional potential box (of infinite height) of width 25Å. Calculate the
probability of finding the particle within an interval of 5Å at the centres of the box when it is in state of least
energy.

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A particle of mass 𝑚 is confined in a one-dimensional infinite potential well of width 𝐿,
(a) Solve the time-independent Schrödinger equation to find the normalized energy Eigen
functions 𝜓 (𝑥)and the corresponding energy eigenvalues 𝐸 .
(b) For the stationary state with quantum number 𝑛 = 3, calculate the probability of finding the
particle in the left half of the well, 0 < 𝑥 < 𝐿/2.
Calculate the probability of finding a particle, in the
first excited state within the spatial interval L/8≤x≤3L/8
for a one-dimensional infinite potential well of width L.
Show that, for any stationary state ψn(x) of a particle in a one-
dimensional infinite potential well of width L, the probability of
locating the particle within the left half of the well (0≤x≤L/2) is
independent of the quantum number n. Determine this
probability explicitly.
Calculate the probability of finding the particle
in 1D box in the region L/4 and 3L/4 for even
and odd n
Figure 3.9.1: A particle in a 3-D box scheme with equal lengths on all three dimensions. (CC BY-SA-ND 3.0; [Link]).

The potential for the particle inside the box V(r⃗ )=0
(3.9.3)
(3.9.20)
The ground state has only one wavefunction and no other However, in the 3-D cubical box potential the energy
state has this specific energy; the ground state and the of a state depends upon the sum of the squares of
energy level are said to be non-degenerate the quantum numbers

The particle having a particular value of energy in the excited state MAY has several different stationary
states or wavefunctions. If so, these states and energy eigenvalues are said to be degenerate

For the first excited state, three combinations of the quantum numbers (nx,ny,nz) are (2,1,1),(1,2,1),(1,1,2). The sum of squares of the quantum numbers in each
combination is same
Degeneracy properties of the particle in a 3-D cube with a=L, b=L, and c=L.
When is there degeneracy in a 3-D box when none of the sides are of equal length (i.e., Lx≠Ly≠Lz)?

Physical Meaning
•Cubic box (Lx=Ly=Lz) → high symmetry → frequent degeneracy.
•Rectangular unequal box → broken symmetry → almost always non-degenerate.
•Degeneracy appears only if the box dimensions have special ratios that accidentally
make two sums equal.
Calculate the lowest three distinct energy levels of an electron in a cubic
box of length L = 0.8 nm
An electron is confined in a cubic box of side L=1 nm.
calculate the energy and write down the corresponding
normalized wavefunction for the ground state.
 Tunnel Effect
• Classically a particle with energy E<Vo can not
penetrate a barrier and it must rebound from the
barrier

• The quantum mechanical penetration of particle

through the potential barrier even when the
energy is less than the height of the barrier is
called tunnel effect

The time-independent Schrödinger equation describes the motion of a particle’s

(in this case an electron’s) wavefunction ψn(z) moving under the influence of a
potential U(z). For simplicity, the one-dimensional case is considered:
 Tunnel Effect

Quantum tunneling through a barrier. The energy of the tunneled particle is the same but
the amplitude is decreased.

For a quantum particle to appreciably tunnel through a barrier three conditions must be met
[Link] height of the barrier must be finite and the thickness of the barrier should be thin.
[Link] potential energy of the barrier exceeds the kinetic energy of the particle (E<V).
[Link] particle has wave properties because the wavefunction is able to penetrate through the
barrier.

This suggests that quantum tunneling only apply to microscopic objects such protons or electrons
and does not apply to macroscopic objects.
The wave function representing a quantum mechanical particle must vary smoothly, going from within the
nucleus (to the left of the barrier) to outside the nucleus (to the right of the barrier). Inside the barrier, the
wave function does not abruptly become zero; rather, it decreases exponentially. Outside the barrier, the wave
function is small but finite, and there it smoothly becomes sinusoidal. Owing to the fact that there is a small
probability of finding the particle outside the barrier, the particle can tunnel through the barrier
Application of Tunnel Effect

1. The emission of alpha particles from a radioactive element

2. The electrical breakdown of insulators

3. The switching action of a tunnel diode

4. The field emission of electrons from a metallic surface

 Scanning Tunnelling Microscope (STM)
Scanning Tunnelling Microscope (STM)
• STM is used for imaging surfaces at the atomic level. For an STM,
good resolution is considered to be 0.1 nm of lateral and 0.01 nm
of depth resolution
• The STM relies on the quantum tunneling effect and applicable
to the conducting samples only

STM image showing surface

topography at an atomic level

material STM tip

~ 1 nm
material
STM tip
A metal tip usually made out of tungsten is placed between a very small distance above a conducting or semiconducting
surface. This distance acts as a potential barrier for tunneling. The space between the tip and the surface normally is
vacuum. When electrons tunnel from the metal tip to the surface, a current is created and monitored by a computer.

The current depends on the distance between the tip and the surface, which is controlled by a piezoelectric cylinder. If there is a
strong current, the tip will move away from the surface.
The increase of the potential barrier will decrease the probability of tunneling and decrease the current. If the current
becomes too weak, the tip moves closer to the surface. The potential barrier will be reduced and the current will increase.
The variations in the current as the tip moves over the sample are reconstructed by the computer to produce topological image
of the scanned surface.
Modes of Operations
1. Constant Height Mode
2. Constant Current Mode

Uses:
1. Surface Roughness

2. Observing surface defects

3. Size determination
 Application: Tunneling Microscopy
 Due to the quantum effect of “barrier x Metal
penetration,” the electron density of a tip
material extends beyond its surface:

One can exploit this material STM tip

to measure the
electron density on a ~ 1 nm
material’s surface:
material
STM tip
Real STM tip

Iron atoms DNA Double

Copper Helix:
surface

STM images

[Link]
Low temperature scanning tunneling microscopy (LT STM)
In the previous slide, the material is applied with negative potential and the tip is
applied with positive potential. Hence the electron tunnels from the electron
cloud of the material to the tip surfaces.

It can be vice versa also…………..

Tip can be with negative potential and the sample can be applied with positive
potential……. In that case tunneling will take from right side to left side.

1. Constant height mode

2. Constant current mode
 Quantum Tunneling Does Not Violate Energy Conservation. why?

Quantum tunneling does not contradict energy conservation because the particle’s total energy remains constant
throughout the process. The particle does not gain extra energy to cross the barrier; instead, its wavefunction
spreads into and through the barrier, giving a small probability of appearing on the other side. The effect occurs due
to the wave nature of particles, not because energy is created or lost.

The factors that affect the probability of tunnelling through a potential barrier.

The probability of quantum tunneling mainly depends on barrier width, barrier height, and particle energy. A thinner or
lower barrier increases tunneling probability, while a thicker or higher barrier decreases it. Tunneling is also higher for lighter
particles (like electrons) and when the particle’s energy is closer to the barrier height. These effects arise from the wave
nature of particles, not from any change in their total energy.

Physical Behavior of Wavefunction Amplitude and Wavelength in a Potential Barrier

When a particle enters a potential barrier where its energy is lower than the barrier height, the wavefunction
amplitude decreases exponentially and the wavelength is no longer real (it becomes an evanescent, decaying
wave). This means the probability of finding the particle drops rapidly inside the barrier. When the particle exits
the barrier, the wavefunction becomes oscillatory again with a real wavelength, but its amplitude is smaller than
before, showing that only a fraction of the wave has tunneled through.
Calculate the probability for on electron of 0.4eV to
be found on the other side of the barrier Of height 3
eV an thickness 0.1nm
For quick estimation (approx.)-------
Using the accurate transmission formula including energy
dependence