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NAME-ADITYA KUMAR
UNIVERSITY ROLL NO- 12500223005
STREAM –IT
SECTION –A

PARTICLE IN 1D
BOX…
 ACKNOWLEDGMENT

I would like to express my special thanks of

gratitude to my teacher Mr Dinesh De who gave
me the golden opportunity to do this wonderful
project on the topic of Linear and Bernoulli’s
equation. Who also helped me in completing my
project. I came to know about so many new
things and I am thankful for them. Secondly, I
would also like to thank my parents and friends
who helped me a lot in finalizing this project
within a limited timeframe.
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 Table of
content

PARTICLE IN 1D BOX  TITLE OF

REPORT

Abstract
 ACKNOWLEDG
MENT
 ABSTARCT
 INTRODUCTIO
N
A particle in a 1-dimensional box is a fundamental quantum  METHODOLOG
mechanical approximation describing the translational motion of Y
a single particle confined inside an infinitely deep well from which  DISCUSSION
it cannot escape.  CONCLUSION
 APPLIOCATIO
N

Introduction
I

The particle in a box problem is a common application of a quantum

mechanical model to a simplified system consisting of a particle moving
horizontally within an infinitely deep well from which it cannot escape.
The solutions to the problem give possible values of E and ψ(x) that
the particle can possess. E represents allowed energy values
and ψ(x) is a wavefunction, which when squared gives us the
probability of locating the particle at a certain position within the box at
a given energy level.

To solve the problem for a particle in a 1-dimensional box, we must

follow our Big, Big recipe for Quantum Mechanics:

1. Define the Potential Energy, V

2. Solve the Schrödinger Equation
3. Define the wavefunction
4. Define the allowed energies
Step 1: Define the Potential Energy V
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 A particle in a 1D infinite potential well of dimension L�.

The potential energy is 0 inside the box (V=0 for 0<x<L) and goes to infinity at the walls of the
box (V=∞ for x<0 or x>L). We assume the walls have infinite potential energy to ensure that the
particle has zero probability of being at the walls or outside the box. Doing so significantly simplifies
our later mathematical calculations as we employ these boundary conditions when solving the
Schrödinger Equation.

Step 2: Solve the Schrödinger Equation

The time-independent Schrödinger equation for a particle of mass m moving in one direction with
energy E is

with

 ℏℏ is the reduced Planck Constant where ℏ=h2πℏ=ℎ2

 m is the mass of the particle
 ψ(x) is the stationary time-independent wavefunction
 V(x) is the potential energy as a function of position
 E is the energy, a real number

This equation can be modified for a particle of mass m free to move parallel to the x-axis with zero
potential energy (V = 0 everywhere) resulting in the quantum mechanical description of free motion in
one dimension:

This equation has been well studied and gives a general solution of:

ψ(x)=Asin(kx)+Bcos(kx)

where A, B, and k are constants.

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Step 3: Define the wavefunction
The solution to the Schrödinger equation we found above is the general solution for a 1-dimensional
system. We now need to apply our boundary conditions to find the solution to our particular system.
According to our boundary conditions, the probability of finding the particle at x=0 or x=L is zero.
When x= 0 cos=0, sin(0)=0sin⁡ (0)=0, and cos(0)=1cos⁡ (0)=1; therefore, B must equal 0 to
fulfill this boundar condition giving:

ψ(x)=Asin(kx)

Solving for k
Differentiate the wavefunction with respect to x:

dψdx=kAcos(kx)

d2ψdx2=−k2Asin(kx)

Since ψ(x)=Asin(kx), then

d2ψdx2=−k2ψ

If we then solve for k by comparing with the Schrödinger equation above, we find:

k=(8π2mEh2)1/2

Now we plug k into our wavefunction:

ψ=Asin(8π2mEh2)1/2x

Solving for A
To determine A, we have to apply the boundary conditions again. Recall that the probability of finding
a particle at x = 0 or x = L is zero.

When x=L, sie = 0:

0=Asin(8π2mEh2)1/2L

This is only true when

(8π2mEh2)1/2L=nπ

where n = 1,2,3…

Plugging this back in gives us:

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 ψ=AsinnπLx

To determine A, recall that the total probability of finding the particle inside the box is 1, meaning
there is no probability of it being outside the box. When we find the probability and set it equal to 1,
we are normalizing the wavefunction.

∫L0ψ2dx=1

For our system, the normalization looks like:

A2∫L0sin2(nπxL)dx=1

Using the solution for this integral from an integral table, we find our normalization constant, A(kx):

A=(2/L)^1/2

Which results in the normalized wavefunction for a particle in a 1-dimensional box:

ψ=2L−√sinnπLx

Step 4: Determine the Allowed Energies

Solving for E results in the allowed energies for a particle in a box:

En=n2h28mL2

This is an important result that tells us:

1. The energy of a particle is quantized and

2. The lowest possible energy of a particle is NOT zero. This is called the zero-point energy and
means the particle can never be at rest because it always has some kinetic energy.

METHODOLOGY

The potential energy is 0 inside the box (V=0 for 0<x<L) and goes to infinity at the walls of the box (V=∞
for x<0 or x>L). We assume the walls have infinite potential energy to ensure that the particle has zero
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probability of being at the walls or outside the box. Doing so significantly simplifies our later mathematical
calculations as we employ these boundary conditions when solving the Schrödinger Equation.

DISCUSSION
 First we will consider a free particle moving in 1D so V (x) = 0. The TDSE now reads − ~ 2 2m d
2ψ(x) dx2 = Eψ(x) which is solved by the function ψ = Aeikx where k = ± √ 2mE ~

 A general solution of this equation is ψ(x) = Aeikx + Be−ikx where A and B are arbitrary constants. It
can also be written in terms of sines and cosines as ψ(x) = C sin(kx) + D cos(kx) The constants
appearing in the solution are determined by the boundary conditions. For a free particle that can be
anywhere, there is no boundary conditions, so k and thus E = ~ 2k 2 /2m can take any values. The
solution of the form e ikx corresponds to a wave travelling in the +x direction and similarly e −ikx
corresponds to a wave travelling in the -x direction. These are eigenfunctions of the momentum
operator. Since the particle is free, it is equally likely to be anywhere so ψ ∗ (x)ψ(x) is independent of
x. Incidently, it cannot be normalized because the particle can be found anywhere with equal
probability.

 let us confine the particle to a region between x = 0 and x = L. To do this, we choose our
interaction potential V (x) as follows V (x) = 0 for 0 ≤ x ≤ L = ∞ otherwise It is always a
good idea to plot the potential energy, when it is a function of a single variable, as shown
in Fig.1. The TISE is now given by 0 L V=infinity V=0 V=infinity V(x) x − ~ 2 2m d 2ψ(x) dx2
+ V (x)ψ(x) = Eψ(x) First consider the region outside the box where V (x) = ∞. Since V
(x)ψ(x) has to be finite for finite energy, we insist that ψ(x) = 0. In other words, the particle
cannot go outside the box. In the box, we have the TISE given by the free particle term −
~ 2 2m d 2ψ(x) dx2 = Eψ(x) now subjected to the boundary conditions given by ψ(0) =
ψ(L) = 0


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 

 Thus, we take the general solution ψ(x) = A sin(kx) + B cos(kx) If we put x = 0, we get ψ(0)
= B = 0. If we now put ψ(L) = 0, we get A sin(kL) = 0 ork = nπ L where n is any integer.
Clearly n = 0 is not valid as the wavefunction vanishes. Also, we see that changing the
sign of n simply changes the sign of the wavefunction and as we said before, it does not
produce a new wavefunction. Thus the solution of the TISE that satisfies the boundary
condition is written as ψn(x) = A sin(nπx L ) where n = 1, 2, 3,... The constant A is
determined by the normalization condition to be p 2/L. The corresponding energy is
given by En = ~ 2k 2 2m = n 2h 2 8mL2 so we have quantization of energy with E1 = ~ 2k 2
2m E2 = 4~ 2k 2 2m and so on. Notice that the lowest possible energy is not zero. This is
referred to as zero point energy. The first few wavefunctions are plotted schematically as
shown below. Notice that as the quantum number increases, the wavefunction becomes
more oscillatory. For n = 2, the wavefunction is zero at the midpoint of the box x = L/2.
This point is a node of this wavefunction. A node refers to a point (other than boundary
points) where the wavefunction goes to zero. For the particle in a 1D box, we see that the
number of nodes is equal to n − 1. Though the particle in a 1D box is a simple model
system, it illustrates the important features of a quantum mechanical description. It is a
very useful first approximation to the behavior of π electrons in conjugated alkenes

CONCLUSION

For the particle in a 1D box, we see that the number of nodes is equal to n − 1. Though the particle in a
1D box is a simple model system, it illustrates the important features of a quantum mechanical
description. It is a very useful first approximation to the behavior of π electrons in conjugated alkenes.

APPLICATION
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 Because of its mathematical simplicity, the particle in a box model is used to find approximate solutions for more
complex physical systems in which a particle is trapped in a narrow region of low electric potential between two high
potential barriers. These quantum well systems are particularly important in optoelectronics, and are used in devices
such as the quantum well laser, the quantum well infrared photodetector and the quantum-confined Stark
effect modulator. It is also used to model a lattice in the Kronig-Penney model and for a finite metal with the free
electron approximation.

Conjugated polyenes

β-carotene is a conjugated polyene

Conjugated polyene systems can be modeled using particle in a box. The conjugated system of electrons can be
modeled as a one dimensional box with length equal to the total bond distance from one terminus of the polyene to the
other. In this case each pair of electrons in each π bond corresponds to their energy level. The energy difference
between two energy levels, nf and ni is:

The difference between the ground state energy, n, and the first excited state, n+1, corresponds to the energy required
to excite the system. This energy has a specific wavelength, and therefore color of light, related by:

A common example of this phenomenon is in β-carotene] β-carotene (C40H56) is a conjugated polyene with an orange
color and a molecular length of approximately 3.8 nm (though its chain length is only approximately 2.4 nm).Due to β-
carotene's high level of conjugation, electrons are dispersed throughout the length of the molecule, allowing one to
model it as a one-dimensional particle in a box. β-carotene has 11 carbon-carbon double bonds in conjugation; each of
those double bonds contains two π-electrons, therefore β-carotene has 22 π-electrons. With two electrons per energy
level, β-carotene can be treated as a particle in a box at energy level n=11. Therefore, the minimum energy needed to
excite an electron to the next energy level can be calculated, n=12, as follows (recalling that the mass of an electron is
9.109 × 10−31 kg):

Using the previous relation of wavelength to energy, recalling both Planck's constant h and the speed of light c:

This indicates that β-carotene primarily absorbs light in the infrared spectrum, therefore it would appear white to a
human eye. However the observed wavelength is 450 nm, indicating that the particle in a box is not a perfect model for
this system.

Quantum well laser

The particle in a box model can be applied to quantum well lasers, which are laser diodes consisting of one
semiconductor “well” material sandwiched between two other semiconductor layers of different material . Because the
layers of this sandwich are very thin (the middle layer is typically about 100 Å thick), quantum confinement effects can
be observed. The idea that quantum effects could be harnessed to create better laser diodes originated in the 1970s.
The quantum well laser was patented in 1976 by R. Dingle and C. H. Henry.

Specifically, the quantum wells behavior can be represented by the particle in a finite well model. Two boundary
conditions must be selected. The first is that the wave function must be continuous. Often, the second boundary
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condition is chosen to be the derivative of the wave function must be continuous across the boundary, but in the case of
the quantum well the masses are different on either side of the boundary. Instead, the second boundary condition is

chosen to conserve particle flux as , which is consistent with experiment. The solution to the finite well particle in a
box must be solved numerically, resulting in wave functions that are sine functions inside the quantum well and
exponentially decaying functions in the barriers. This quantization of the energy levels of the electrons allows a quantum
well laser to emit light more efficiently than conventional semiconductor lasers.

Due to their small size, quantum dots do not showcase the bulk properties of the specified semi-conductor but rather
show quantised energy states. This effect is known as the quantum confinement and has led to numerous applications
of quantum dots such as the quantum well laser.
Researchers at Princeton University have recently built a quantum well laser which is no bigger than a grain of rice.[ The
laser is powered by a single electron which passes through two quantum dots; a double quantum dot. The electron
moves from a state of higher energy, to a state of lower energy whilst emitting photons in the microwave region. These
photons bounce off mirrors to create a beam of light; the laser
The quantum well laser is heavily based on the interaction between light and electrons. This relationship is a key
component in quantum mechanical theories which include the De Broglie Wavelength and Particle in a box. The double
quantum dot allows scientists to gain full control over the movement of an electron which consequently results in the
production of a laser beam.
Quantum dots
Quantum dots are extremely small semiconductors (on the scale of nanometers). They display quantum confinement in
that the electrons cannot escape the “dot”, thus allowing particle-in-a-box approximations to be used. Their behavior
can be described by three-dimensional particle-in-a-box energy quantization equations
The energy gap of a quantum dot is the energy gap between its valence and conduction bands. This energy

gap is equal to the gap of the bulk material plus the energy equation derived particle-in-a-box, which gives

the energy for electrons and holes. This can be seen in the following equation, where and are the effective

masses of the electron and hole, is radius of the dot, and is Planck's constant:

Hence, the energy gap of the quantum dot is inversely proportional to the square of the “length of the box,” i.e. the
radius of the quantum dot.
Manipulation of the band gap allows for the absorption and emission of specific wavelengths of light, as energy is
inversely proportional to wavelength. The smaller the quantum dot, the larger the band gap and thus the shorter the
wavelength absorbed.
Different semiconducting materials are used to synthesize quantum dots of different sizes and therefore emit different
wavelengths of light. Materials that normally emit light in the visible region are often used and their sizes are fine-tuned
so that certain colors are emitted Typical substances used to synthesize quantum dots are cadmium (Cd) and selenium
(Se). For example, when the electrons of two nanometer CdSe quantum dots relax after excitation, blue light is emitted.
Similarly, red light is emitted in four nanometer CdSe quantum dots
Quantum dots have a variety of functions including but not limited to fluorescent dyes, transistors, LEDs, solar cells, and
medical imaging via optical probes.

One function of quantum dots is their use in lymph node mapping, which is feasible due to their unique ability to emit
light in the near infrared (NIR) region. Lymph node mapping allows surgeons to track if and where cancerous cells exist.
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Quantum dots are useful for these functions due to their emission of brighter light, excitation by a wide variety of
wavelengths, and higher resistance to light than other substances

BIBILIOGRAPHY

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THANK
YOU 😊❤
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