Quantum Mechanics Tutorial IV

Engineering Physics
Indian Institute of Information Technology, Allahabad
A particle is in a cubic box with infinitely hard walls whose edges are L long ( as shown in figure). The wave
functions of the particle are given by
𝑛𝑥𝜋𝑥 𝑛 𝜋𝑦 𝑛 𝜋𝑧
𝜓 = 𝐴 𝑆𝑖𝑛 𝑆𝑖𝑛 𝑦 𝑆𝑖𝑛 𝑧 𝑛𝑥 = 1,2,3, … . .
𝐿 𝐿 𝐿
𝑛𝑦 = 1,2,3, … …
𝑛𝑧 = 1,2,3, … …

➢ Find the value of the normalization constant A.

The normalization constant, assuming A to be real, is given by

න 𝜓 ∗ 𝜓𝑑𝑉 = 1 = න 𝜓 ∗ 𝜓 𝑑𝑥𝑑𝑦𝑑𝑧

𝐿 𝑛𝑥𝜋𝑥 𝐿 𝑛𝑦𝜋𝑦 𝐿 𝑛𝑧𝜋𝑧

= 𝐴2 ( ‫׬‬0 𝑆𝑖𝑛2 𝑑𝑥 )( ‫׬‬0 𝑆𝑖𝑛2 𝑑𝑦 )( ‫׬‬0 𝑆𝑖𝑛2 𝑑𝑧 )
𝐿 𝐿 𝐿
Now
𝐿
𝑛𝑥𝜋𝑥 1 𝐿 𝐿
2𝑛𝑥 𝜋𝑥 1 𝐿
න 𝑆𝑖𝑛2 ( )𝑑𝑥 = න 𝑑𝑥 − න 𝐶𝑜𝑠 𝑑𝑥 = (𝐿 − 0) − 𝑆𝑖𝑛 2𝑛𝑥 𝜋 − sin 0
0 𝐿 2 0 0 𝐿 2 2𝑛𝑥 𝜋
𝐿
=
2
𝐿
Each integral is equal to 2 , so the result is
𝐿 3 2 3/2
𝐴2 = 1 𝑜𝑟 𝐴 =
2 𝐿
➢ Calculate the probability that a particle in a one-dimensional box of length L can be found between
0.4 L to 0.6 L for the (a) ground state, (b) first excited state, (c) second excited state.
The wave function for a particle in the nth state is given by
1/2
2 𝑛𝜋𝑥
𝜓𝑛 𝑥 = sin
𝐿 𝐿
The probability of finding the particle in an interval of width dx about a point x is
∗
2 2
𝑛𝜋𝑥
𝑃𝑛 𝑥 𝑑𝑥 = 𝜓 𝑛(𝑥)𝜓𝑛(𝑥) = 𝑆𝑖𝑛 𝑑𝑥
𝐿 𝐿
Here
0.4+0.6 𝐿
𝑑𝑥 = 0.6 − 0.4 𝐿 = 0.2𝐿 and 𝑥= 𝐿=2
2

For the ground state, n = 1. Therefore,

2 𝜋 𝐿
𝑃1𝑑𝑥 = 𝐿 𝑆𝑖𝑛2 ∙ 2 × 0.2𝐿 = 𝟎. 𝟒
𝐿
For the first excited state, n = 2. Therefore,
2 2𝜋 𝐿
𝑃2𝑑𝑥 = 𝐿 𝑆𝑖𝑛2 ∙ × 0.2𝐿 = 𝟎
𝐿 2
For the second excited state, n = 3. Therefore,
2 3𝜋 𝐿
𝑃3𝑑𝑥 = 𝐿 𝑆𝑖𝑛2 ∙ 2 × 0.2𝐿 = 𝟎. 𝟒
𝐿
Now check by integration method?
➢ A stream of particles of mass m and energy E moves towards the potential step V(x) = 0 for x < 0 and
V(x) = V0 for x > 0. If energy of the particles 𝐸 > 𝑉0 , show that the sum of fluxes of the transmitted and
reflected particles is equal to the flux of incident particles.
𝑑2 𝜓 2m
The Schrodinger equations + E−V x 𝜓 =0
𝑑𝑥 2 ℏ2
Now for region 1 and 2.
𝑑 2 𝜓1 2mE
2 + 𝑘02 𝜓1 = 0 k02 = , for x < 0
𝑑𝑥 ℏ2

𝑑 2 𝜓2 2m
2
+ 𝑘 2 𝜓2 = 0 k2 = E − V0 , for x > 0
𝑑𝑥 ℏ2

The solution of the two equations are

𝜓1 = exp 𝑖𝑘0𝑥 + 𝐴 exp −𝑖𝑘0𝑥 𝑓𝑜𝑟 𝑥 < 0

𝜓2 = 𝐵 exp 𝑖𝑘𝑥 (𝑓𝑜𝑟 𝑥 > 0)

For convenience , the amplitude of the incident wave is taken as 1. The second term in 𝜓1, a wave travelling from
right to left, is the reflected wave whereas 𝜓2 is the transmitted wave. It may be noted that in region 2 we will not
have a wave travelling from right to left.
Now the continuity condition on 𝜓 and its derivative at x = 0

𝜓1 = 𝜓2 𝑔𝑖𝑣𝑒𝑠 1+𝐴 =𝐵
And
𝑑𝜓1 𝑑𝜓2
= 𝑔𝑖𝑣𝑒𝑠 𝑘0 1 − 𝐴 = 𝑘𝐵
𝑑𝑥 𝑑𝑥
Simplifying these two findings, we have
𝑘 −𝑘 2𝑘
𝐴 = 𝑘0+𝑘 and 𝐵 = 𝑘 +𝑘
0

0 0

𝒌𝟎ℏ 𝑖ℏ 𝑑𝜓∗ 𝑥 𝑑𝜓 𝑥
The flux of particles for the incident wave = Flux density = 𝜓 𝑥 − 𝜓∗ 𝑥
𝒎 2𝑚 𝑑𝑥 𝑑𝑥

𝒌𝒐ℏ 𝟐
The magnitude of flux of particles for the reflected wave = 𝑨
𝒎

𝒌ℏ 𝟐
The flux of particles for the transmitted wave = 𝑩
𝒎

ℏ 2 2
Sum of reflected and transmitted flux = 𝑚 𝑘0 𝐴 +𝑘 𝐵

ℏ𝑘0 𝑘0−𝑘 2 4𝑘𝑘0 ℏ𝑘0

= + =
𝑚 𝑘0+𝑘 2 𝑘0+𝑘 2 𝑚
Which is incident flux.
Tunneling effect
• Tunneling is a quantum mechanical phenomenon in which a
particle is able to penetrate through a potential energy barrier
that is higher in energy than the particle’s total energy.

• We look at the situation of a particle that strikes a potential

barrier of height U , with E < U, but here the barrier has a finite
width. What we will find is that the particle has a certain
probability – not necessarily great , but not zero either of passing
through the barrier and emerging on the other side.

• This amazing property of microscopic particles play important

roles in explaining several physical phenomena including
radioactive decay. Additionally, the principle of tunneling leads to
the development of Scanning Tunneling Microscope (STM) which
had a profound impact on chemical, biological and material
science research.
➢ Electrons with energies of 1.0eV and 2.0eV are incident on a barrier 10.0eV high and o.50 nm wide. (a) Find
their respective transmission probabilities . (b) how are these affected if the barrier is doubled in width?
The approximate value of transmission probability (T) can be obtained by following expression

𝑇 = 𝑒 −2𝑘2𝐿
2𝑚 𝑈−𝐸
Where 𝑘2 = ℏ
And L is width of the barrier.
𝐽
2 9.1×10−31 𝑘𝑔 [ 10.0−1.0 𝑒𝑉](1.6×10−19 𝑒𝑉)
(a) For 1.0eV electron 𝑘2 = = 1.6 × 1010 𝑚−1
1.054×10−34 𝐽.𝑠

Since 𝐿 = 0.05 nm = 5 × 10−10 m, therefore

𝑇1 = 𝑒 −(2)(1.6×10
10 𝑚−1 )(5×10−10 m) = 𝑒 −16 = 1.1 × 10−7
Similarly for 2.0eV electron
T2= 2.4 × 10−7

(b) If the barrier is doubled in width to 1.0nm , the transmission probabilities become

𝑇1′ = 1.3 × 10−14 and 𝑇2′ = 5.1 × 10−14

Evidently T is more sensitive to the width of the barrier than to the particle energy here.
➢ A beam of electrons is incident on a barrier 6.00 eV high and 0.200 nm wide. find the energy they should
have if 1.00 percent of them are to get through the barrier.

We know that

Approximate transmission probability 𝑇 = 𝑒 −2𝑘2𝐿

1 1 1
That gives 𝑘2 = 2𝐿 ln =2 ln 100 = 1.15 × 1010 𝑚−1
𝑇 0.2×10−9 𝑚

And
ℏ𝑘2 2 2𝑚 𝑈−𝐸
𝐸 =𝑈− 2𝑚
since 𝑘2 =
ℏ

2
1.054×10−34 𝐽.𝑠 1.15×1010 𝑚−1
= 6.00𝑒𝑉 − 𝐽
2 9.1×10−31 𝑘𝑔 1.6×10−19 𝑒𝑉

= 0.95𝑒𝑉
Periodic potential
A one-dimensional metal crystal consisting of a number of stationary positive ions provides a periodic potential of
period d (as shown in figure). That is
V 𝑥 + 𝑛𝑑 = 𝑉 𝑥 , 𝑛 = 0,1,2 … … . .
Consider a crystal lattice with N ions in the form of a closed loop . The Schrodinger equation at point x and (x+d) is then

𝑑 2 𝜓(𝑥) 2m 𝑑 2 𝜓(𝑥 + 𝑑) 2m
+ 2 E−V x 𝜓 𝑥 =0 and + 2 E − V x 𝜓(𝑥 + 𝑑) = 0
𝑑𝑥 2 ℏ 𝑑𝑥 2 ℏ
Since 𝜓 𝑥 𝑎𝑛𝑑 𝜓 𝑥 + 𝑑 satisfy the same equation, the two can differ only by a multiplicative constant, say 𝛼.

𝜓 𝑥 + 𝑑 = 𝛼𝜓 𝑥 𝑎𝑛𝑑 𝜓 𝑥 + 𝑁𝑑 = 𝛼 𝑁 𝜓 𝑥
Now
𝛼𝑁 = 1 𝑜𝑟 𝛼 𝑁 = 𝑒 2𝜋𝑖𝑛 𝑓𝑜𝑟 𝑛 = 0,1,2, … … . . 𝑁 − 1 … …

It means that 𝜓 𝑥 = 𝑒 𝑖𝑘𝑥 𝑢 𝑥 (1)

2𝜋𝑛
where 𝑢(𝑥 + 𝑑) = 𝑢 𝑥 𝑎𝑛𝑑 𝑘 = , 𝑛 = 0, ±1, ±2 … … .
𝑁𝑑
The eq.(1) can be easily justified by replacing x by (x+d)
2𝜋𝑛𝑖
𝑖𝑘 𝑥+𝑑 𝑖𝑘𝑑 𝑖𝑘𝑥 𝑖𝑘𝑑
𝜓 𝑥+𝑑 =𝑒 𝑢 𝑥+𝑑 =𝑒 𝑒 𝑢 𝑥 =𝑒 𝜓 𝑥 =𝑒 𝑁𝜓 𝑥 = 𝛼𝜓 𝑥
The above equation is called Bloch theorem. This is the solution of Schrodinger equation of a periodic potential will
have the form of a plane wave modulated by a function having the periodicity of the lattice.
Kronig Penny Model

• According to quantum free electron theory of metals, a conduction electron in a metal experiences constant (or zero)
potential and free to move inside the crystal but will not come out of the metal because an infinite potential exists at
the surface. This theory successfully explains electrical conductivity, specific heat, thermionic emission and
paramagnetism. This theory fails to explain many other physical properties, for example: (i) it fails to explain the
difference between conductors, insulators and semiconductors, (ii) positive Hall coefficient of metals and (iii)
lower conductivity of divalent metals than monovalent metals.
To overcome the above problems, the periodic potentials due to
the positive ions in a metal have been considered. shown in Fig.
(a), if an electron moves through these ions, it experiences
varying potentials. The potential of an electron at the positive
ion site is zero and is maximum in between two ions. The
potential experienced by an electron, when it passes along a line
through the positive ions is as shown in Fig. (b).

It is not easy to solve Schrödinger’s equation with these

potentials. So, Kronig and Penney approximated these potentials
inside the crystal to the shape of rectangular steps as shown
in Fig. (c). This model is called Kronig-Penney model of
potentials.