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MECHANICS

TOPICS

One- Dimensional Wave Functions & Expectation

Values

The Particle Under Boundary Conditions

The Schrodinger Equation

The particle in a BOX

A particle in a Well of finite Height

Tunneling Through a Potential Energy Barrier

The Scanning Tunneling Microscope

The Simple Harmonic Oscillator

Text Book

PHYSICS for Scientists and Engineers

with Modern Physics (6th ed)

By Serway & Jewett

MIT- MANIPAL

BE-PHYSICS-QUANTUM MECHANICS-201011

electromagnetic radiation exhibit wave and particle

nature

depending

on

the

phenomenon

being

observed.

Making a conceptual connection between particles

and waves,

have

as

Probabilit

y

V

E2

and matter-the probability per unit volume of finding

the particle is proportional to the square of the

amplitude of a wave representing the particle, even if

the amplitude of the de Broglie wave associated with a

particle is generally not a measureable quantity.

particle is called probability amplitude, or the wave

function, and is denoted by .

depends on the positions of all the particles in the

system and on time and can be written as

(rj,t) = (rj) eit ,

where rj is the position vector of the jTH particle in the

system.

For any system in which the potential energy is timeindependent and depends only on the positions of

particles within the system, the important information

about the system is contained within the space part

of the wave function.

||2 is always real and positive, and is proportional to the

probability per unit volume, of finding the particle at a

given point at some instant.

If represents a single

relative probability per unit volume that the particle will

be found at any given point in the volume.

One-Dimensional

Wave

Functions

and

Expectation Values

=

along the x axis

P(x) dx = ||2 dx is the probability to find

the particle in the infinitesimal interval dx

around the point x. The probability of finding

the particle in the arbitrary interval a x b is

Pab

2 dx

a x b is the area under the probability density curve

from a to b.

The total probability of finding the particle is

1.

normalization:

dx 1

equation and can be computed from it.

All the

and momentum, can be derived from a knowledge of .

particle

after

many

measurements

is

called

x x dx

with the particle is

f (x) f (x) dx

the

The

important

mathematical

features

of

a system are

(x) may be a complex function or a real

(i)

(ii) (x), must be finite, continuous and single

valued every where;

(iii) The space derivatives of , must be finite,

continuous and single valued every where;

(iv)

must be normalizable.

Wave function

waves

( x, y , z , t )

Is denoted by

which contains

Probability density ,I I2 = I * I

Orthogonalised condition, means certainty of

2

I

I

absence of particle at a given

time.dxdydz 0

Normalized condition,

2

presence of particle at a givenI

time.

I dxdydz 1

equation (x) = A e

ax2

is normalized?

(B) What is the expectation value of x for this

particle?

Solution:

dx 1

Ae

ax )

dx 1

2 ax 2

dx 1

2 ax

dx A

2 ax

dx A

2 A2 e 2 ax dx 1

0

2 1

1

2 A

2

2

a

2 ax 2

dx 1

e

0

2 ax 2

1

dx

2 2a

2a

A

1/ 4

x x dx

Ae

A

xe

xe

ax 2

2 ax 2

xe

2 ax 2

xAe

ax 2

dx

dx

2 ax 2

dx xe

dx xe

0

x 0

2 ax 2

2 ax 2

dx

dx

i(5.0 1010 x)

( x) A e

wavelength, (b) its momentum, and (c) its

kinetic energy in electron volts.

Solution:

i(5.0 1010 x)

( x) A e

( x) Ae

i ( 5.01010 x )

2

k

(a )

2

2

10

1.26 x10 m

10

k

5 x10

34

(b)

h 6.626.x10

24

p

5

.

27

x

10

kg.m / s

10

1.26 x10

P 2 (5.27 x10 24 ) 2

17

(c ) K

31

2m 2 x9.11x10

The appropriate wave equation for matter waves was

developed by Schrdinger. Schrdinger equation as it

applies to a particle of mass m confined to moving

along

U

2

2m dx

2

system (the particle and its environment).

U

2

2m dx

2

dimensional,

time-independent

Schrdinger

equation.

Application of Schrdinger equation to the

[1] Particle in a box

[2]Particle in an infinite square well.

one-

bouncing between two impenetrable walls separated by a

distance L is shown.

U(x) = 0,

for

0 < x < L,

Since U (x) = , for x < 0, x > L ,

(x) =0 in these regions.

Also (x =0) =0 and (x =L) =0.

Only those wave functions that satisfy these boundary

conditions are allowed.

In the region 0 < x < L, where U = 0, the Schrdinger

equation takes the form

d2

dx 2

2m

E

2

0,

d

2mE

2

2

k , where k 2 or k

2

dx

2mE

equation is (x) = A sin(kx) + B cos(kx) where A and B

are

constants

determined

by

the

boundary

normalization conditions.

Applying the first boundary condition,

i.e., at x = 0, = 0

leads to

0 = A sin 0 + B cos 0

or B = 0 ,

and at x = L , = 0 ,

0 = A sin(kL) + B cos(kL) = A sin(kL) + 0 ,

and

since A 0 , sin(kL) = 0 .

kL =

n ;

2

k

( n = 1, 2, 3, ..)

2mE

,

or

L n

2

k L

2mE

L n

quantized energy value, En , where

En

h2 2

n Where n = 1, 2 , 3 ..

2

8 mL

h

The lowest allowed energy (n 1), E1

2

8 mL

Excited states corresponds to n = 2, 3, 4 ---- have

energies given by 4E1 , 9E1 , 16E1 ---.

Energy level diagram for a

particle confined to a onedimensional box of length L.

The lowest allowed energy is

E1 = h2/8mL2.

According to quantum mechanics, the particle can never

be at rest.

(x) = A sin(kx) + B cos(kx)

B=0 and k=n /L A=?

n ( x)

n x

A sin

dx 1

n x

0 A sin L dx 1

2

or

2n x

A 1 cos

dx

L

0

2

A2

2

A2

0 dx 2

2nx

0 cos L dx 1

L

A

2

x]

0

A L

sin 2n

2 2n

xL

2

A2

= 1

0

2

A =

L

L 0 =

2 1

we get , n x

2

n x

sin

L

L

The first three allowed states for a particle confined to a onedimensional box are shown next.

Fig.

(b)

The

probability

for n = 1, 2, and 3.

Quantum Mechanics II

A careful analysis of the process of

observation in atomic physics has

shown that the subatomic particles

have

no

meaning

as

isolated

as interconnections between the

preparation of an experiment and

the subsequent measurement.

- Erwin Schrdinger

I think it is safe to say that no one

understands quantum mechanics.

Do not keep saying to yourself, if

you can possibly avoid it, But how

can it be like that? because you

will get down the drain into a

blind alley from which nobody has

yet escaped. Nobody knows how it

can be like that.

- Richard Feynman

Those who are not shocked when

they

first

mechanics

come

cannot

across

quantum

possibly

have

Quantum Dots

Trapping of particle

(electron) in the potential

well

(PARTICLE IN A SQUARE WELL POTENTIAL)

I

III

II

U

length

L.

particle

is

0

L

X

>L

U(x) = 0 ,

0 < x < L,

U (x) = U ,

x < 0, x

total

energy

of

the

than U

Particle

energy

permanently

bound

in

the

potential

well.

particle is

However,

that the particle can be found outside the well even if E < U.

That is, the wave function is generally nonzero in regions I

and III.

In regions II, where U = 0, the allowed wave functions are

again sinusoidal. But the boundary conditions no longer

require that the wave function must be zero at the ends of

the well.

regions I and III is:

2

d

2

dx

where

2m

(U E) C

2m

2

C

(U E)

2

( x) A eC x B e C x

otherwise, the probabilities would be infinite in those

regions. Solution should be finite.

are

= A e C x for x < 0

I

= B eC x for x > L

III

where C

_

2 m (U E)

e- x as x - , B = 0 ,

e x as x , A = 0,

in region II, where U = 0 is

d2

II

dx2

2m

E

2

II

k2

General solution of the above equation is

II F

sin

2mE

2mE

x G cos

k

k

potential well decay exponentially with distance.

The boundary conditions require that,

To determine the constants A, B, F, G, & the allowed

values of energy E, apply the four boundary conditions

and the normalization condition.

DEPTH

WAVE

FUNCTIONS

PROBABILITY DENSITIES

certain

probability

found

outside the

of

well.

being

The

INFINITE DEPTH

potential

In finite well,

1]Particle momenta

since [ p = h/ ]

FINITE DEPTH

is lower

lower

compared to Infinite well

barrier of height U, (E < U). Potential energy has a

constant value of U in the region of width L and is zero

in all other regions. This is called a square barrier and

U is called the barrier height. Since E < U, classically

the regions II and III shown in the next figure are

forbidden to the particle incident from left. But

according to quantum mechanics, all regions are

accessible to the particle, regardless of its energy.

incident from the left on a barrier of height U and width L.

The wave function is sinusoidal in

exponentially decaying in region II.

L), full solution to the Schrdinger equation can be found

which is shown in figure. The probability of locating the

particle beyond the barrier in region III is nonzero. The

movement of the particle to the far side of the barrier is called

tunneling or barrier penetration.

The probability of tunneling can be described with a

transmission coefficient T and a reflection coefficient R.

The

transmission

coefficient

represents

the

side of the barrier, and reflection coefficient is the

probability that the particle is reflected by the barrier.

Because the particles must be either reflected or

transmitted we have, R + T = 1.

An approximate expression for the transmission

coefficient, when T << 1 is

2CL

where C

whenT <<1

2 m (U

_ E)

uncertainty principle.

t ~ / E.

Some Applications of Tunneling - see the text book

Traps

Applications

Alpha decay

The Tunnel diode

The Scanning Tunneling

Microscope

Scanning Tunnelling

Microscope

STM tip

(photo taken with an SEM)

STM tips

Tips

Cut platinum iridium wires

Tungsten sharpened with ion milling

Best tips have a point a few

hundred nm wide

Vibration Control

Coiled spring suspension with magnetic damping

Stacked metal plates with dampers between them

An

electrically

conducting

(positively charged) probe with a

very sharp edge is brought near the

surface to be studied

The empty space between the tip

and the surface represents the

barrier.

The tip and the surface are two

walls of the potential well.

If a voltage is applied between

surface and tip, electrons in the

atoms of the surface material can be

made to tunnel preferentially from

surface to tip to produce a tunneling

current. In this way the tip samples

the distribution of electrons just

above the surface.

d~6

Bias voltage:

mV V range

I is generated (10 pA to 1 nA).

Xenon on Nickel

Single atom

lithography

Copper Surface

Quantum Corrals

Imaging the standing wave created by

interaction of species

Iron on Copper

Platinum

Structure of graphite

Quantum

Dots

The highly developed techniques used

to fabricate computer chips can be

used construct, atom by atom,

individual potential energy wells that

behave , in many respects, like

artificial atoms, called quantum dots

Have

promising

applications

in

electron

optics

and

computer

technology.

PROBLEMS

walls 0.20 nm apart. Determine the energy levels for the

states n =1 ,2 , and 3.

SOLUTION: We have

En

h2 2

n

2

8 mL

n=2 E2=4E1=37.7eV

n=3 E2=9E1=84.8eV

m. Calculate the minimum speed of the baseball. If the

baseball is moving with a speed of 150 m/s, what is the

quantum number of the state in which the baseball will

be?

SOLUTION: We have

En

h 2

n

2

8 mL

2

E1= h2/8mL2 = 1.10 X 10-71J

Since E=K= mv2

v=(2K/m)= 6.63 x 10-36 m/s

(b) We expect the quantum no to be large since baseball is a

macroscopic object.

The K.E of the baseball is given by,

K= mv2= 5.62 x 103 J

h 2

n

2

8mL

En

E n 8mL2

h2

n=2.26 x 1037

[3]

(A) Using the simple model of a particle in a box to

represent an atom, estimate the energy (in eV) required to

raise an atom from the state n =1 to the state n =2. Assume

the atom has a radius of 0.10 nm and that the moving

electron carries the energy that has been added to the atom.

(B) Atoms may be excited to higher energy states by

absorbing photon energy. Calculate the wavelength of the

photon that would cause the transition from the state n =1

to the state n =2.

SOLUTION (A)

Using L=0.200nm, m=me=9.11 x 10-31 kg from prev problem

En

h2 2

n

2

8m L

En 9.4n 2 eV

Hence the Energy Diff between the states n=1 and n=2 is

E=E2 E1

=9.42(2)2 eV-9.42(1)2 eV

E=28.3eV

(B) E=hf=hc/,

=hc/E=1.24 eV/(28.3)

of length 0.20 nm. (a) Find the lowest possible energy of the

proton. (b) What is the lowest possible energy for an electron

confined to the same box? (c) Account for the great

difference in results for (a) and (b)

Solution (a)Proton

h 2

n

2

8m L

2

En

(b) Electron

h 2

n

2

8m L

E1 8.22 x10

22

J 5.1x10

eV

En

E1 1.51x10 18 J 9.41 eV

less massive

40 eV. What is the probability that the electron will tunnel

through the barrier if its width is (A) 1.0 nm? (B) 0.10 nm?

SOLUTION: We have

_

T e 2CL

where C

_

2m(U E )

2 CL 2

T e

2CL

9

(1.0 x10 m)

34

1.054 x10 J .s

32.4

8.5 x10 15

T e

2CL

3.24

0.039

a barrier with thickness L = 0.20 nm and height U = 10.0 eV

as shown in the figure. What is the probability that the

electron (a) will tunnel through the barrier? (b) will be

reflected?

T e 2CL

where C

2 CL 2

_

2m(U E )

10

(2.0 x10 m)

34

1.055 x10 J .s

CL=4.58

Schrdinger's CAT

DEAD ? OR ALIVE ?

WILL SEE IN NEXT CLASS

An

electrically

conducting

(positively charged) probe with

a very sharp edge is brought

near the surface to be studied

The empty space between the

tip and the surface represents

the barrier.

The tip and the surface are two

walls of the potential well.

If a voltage is applied between

surface and tip, electrons in

the atoms of the surface

material can be made to tunnel

preferentially from surface to

tip to produce a tunneling

current. In this way the tip

samples the distribution of

electrons

just

above

the

surface.

vibrating charges in the walls of the cavity of a

blackbody emitting radiation) as simple harmonic

oscillators.

Particles (vibrating charges) is subject

to a linear

particle relative to equilibrium (x = 0) and k is force

constant. The potential energy of the system is,

U = k x2 = m 2 x2

Where the angular frequency of vibration is

k /m

Classically, the particle oscillates between the

points

x = A and

x = A,

of the motion.

In the classical model, any value of E is allowed,

including E = 0, which is the total energy when

the Schrdinger

particle is inequation

rest at xfor

= 0.

The

this problem is

2 d2 1

2 2

x E

2

2m dx

2

C x2

Be

condition.

m

where C

2

B e

and

(m / 2 ) x 2

1

2

The energy for an arbitrary quantum number n is given by

energy is E0 = (); the state n = 1 corresponds to the first

excited state, whose energy is E1 = (3/2) , and so on.

for

simple

harmonic

oscillator,

U (x)

= E3

superimposed on the

potential

= E2

energy

= E1

function.

= E0

x

0

The levels are equally spaced with E = .

The ground state energy is E0 = ().

-3 -2 -1

-3 -2 -1

m

x

2

m

x

2

-3 -2 -1

m

x

2

2

n

probabilities and the red ones the quantum

probabilities

for a simple harmonic

oscillator.

near the endpoints of its motion where it has the least

kinetic energy. This is in sharp contrast to the quantum

case for small n. In the limit of large n, the probabilities start

to resemble each other more closely as shown in figure.

differs from the equation given by quantum harmonic

oscillator only in the term added to n. However this

additional term does not affect the energy emitted in a

transition.

[MARKS]

1.What is a wave function ? What is its physical

interpretation ?

[2]

2.What are the mathematical features of a wave

function?

[2]

3.By solving the schrdinger equation, obtain the wavefunctions for a particle of mass m in a one-dimensional

box of length L.

[5]

4.Apply the schrodinger equation to a particle in a onedimensional box of length L and obtain the energy

values of the particle.

[5]

5.Sketch the lowest three energy states, wavefunctions, probability densities for the particle in

a one-dimensional box.

[3]

[MARKS]

6.The wave-function for a particle confined to

moving in a one-dimensional box is

Use the normalization condition

on to show that

[2]

Obtain an expression for the probability of

finding the electron between x = a and x = b.

[3]

[MARKS]

8.Sketch the potential-well diagram of finite

height U and length L, obtain the general

solution of the schrodinger equation for a

particle of mass m in it.

[5]

9.Sketch the lowest three energy states, wavefunctions, probability densities for the particle in

a potential well of finite height.

[3]

10.Give a brief account of tunneling of a particle

through a potential energy barrier.

[4]

11.Give a brief account of the quantum

treatment of a simple harmonic oscillator.

[5]

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