X-ray Interaction with

Matter
Electromagnetic Radiation interacts

with structures with similar size to

the wavelength of the radiation.
Interactions have wavelike and
particle like properties.
X-rays have a very small wavelength,
no larger than 10-8 to 10-9.

X-ray Interaction with

Matter
The higher the energy of the x-ray, the
shorter the wavelength.
Low energy x-rays interact with whole
atoms.
Moderate energy x-rays interact with
electrons.
High energy x-rays interact with the
nuclei.

Five forms of x-ray

Interactions
Classical or Coherent Scattering
Compton Effect
Photoelectric Effect
Pair production
Photodisintegration

Two Forms of X-ray

Interactions
Important to
X-ray
Photoelectric Effect
Diagnostic
Compton Effect

The Photo Electric Effect

Discovery, implications, and
current technology

Discovery: Heinrich Hertz and Phillip

Lenard

Back in 1887

Hertz clarified Maxwells electromagnetic theory of

light:
Proved that electricity can be transmitted in
electromagnetic waves.
Established that light was a form of electromagnetic
radiation.
First person to broadcast and receive these waves.

Lenard Goes Further

His assistant, Phillip Lenard, explored the
effect further. He built his own apparatus
called a phototube to determine the
nature of the effect:

Lenards Photoelectric Apparatus:

The Experiment:
By varying the voltage on a negatively charged grid
between the ejecting surface and the collector plate,
Lenard was able to:
Determine that the particles had a negative
charge.
Determine the kinetic energy of the ejected
particles.

Lenards Findings:
Thus he theorized that this voltage must be equal to the
maximum kinetic energy of the ejected particles, or:

KEmax = eVstopping

Perplexing Observations:
The intensity of light had no effect on energy
There was a threshold frequency for
ejection

Classical physics failed to explain this,

Lenard won the Nobel Prize in Physics in 1905.

Photoelectric Effect
The electron removed from the
target atoms is called a
photoelectron.
The photoelectron escapes with
kinetic energy equal to the
difference between the energy of
the incident x-ray and the
binding energy of the electron.

Photoelectric Effect
Low anatomic number target atoms
such as soft tissue have low binding
energies.
Therefore the photoelectric electron
is released with kinetic energy nearly
equal to the incident x-ray.
Higher atomic number target atoms
will have higher binding energies.

Photoelectric Effect
Therefore the kinetic energy of the
photoelectron will be proportionally
lower.
Characteristic x-rays are produced
following a photoelectric interaction to
those produced in the x-ray tube.
These characteristic x-rays are also
secondary radiation and acts like
scatter.

Photoelectric Effect
The probability of a photoelectric
interaction is a function of the
photon energy and the atomic
number of the target atom.
A photoelectric interaction can
not occur unless the incident xray has energy equal to or
greater than the electron binding
energy.

Photoelectric Effect
The probability of photoelectric
interaction is inversely proportional to
the third power of the photon
energy.
The probability of photoelectric
interaction is directly proportional to
the third power of the atomic
number of the absorbing material

Compton Effect
Moderate energy x-ray photon through out
the diagnostic x-ray range can interact with
outer shell electron.
This interaction not only changes the
direction but reduced its energy and ionizes
the atom as well.
The outer shell electron is ejected. This is
called Compton Effect or Compton
Scattering.

Scattered Photon
E= h
p= h/c

Incident Photon
E= h
p= h/c

Scattered electr
Target Electron
E=mc2
p=0

E= m2c4 + p2c2
p= p

Scattered Photon

Incident Photon
E= h
p= h/c

E= h
p= h/c

recoiled electron
E= KE+ mc2
p= p

h cos

h
c

cos
p
p

h sin

sin

To derive the Compton Effect scattering

We know,
Initial Momentum = Final Momentum

h
c

h
+ 0 = cos + cos

p
c
0 =h sin - sin

p
c

After multiplying the two equations by c, we get:

ccos = h - hcos

p
sin
=
p

hsin

By squaring each of these equations and adding the new

ones together the angle is eliminated.

p2c2 = (h)2 2(h)(h)cos + (h)2

Next we equate the two expressions for total energy of a

particle
E = KE + mc2
E = m2c4 + p2c2

Squaring and equating:

(KE + mc2)2 = m2c4 +
p2c2
p2c2 = KE2 + 2mc2KE
But,
KE = h - h
So we have:
p2c2 = (h)2 2(h)(h) + (h)2 + 2mc2(h
- h)

Previously we had obtained:

p2c2 = (h)2 2(h)(h)cos + (h)2
p2c2 = (h)2 2(h)(h) + (h)2 +
2mc2(h - h)
Equating the two equations:
2mc2(h - h) = 2(h)(h)(1cos)
The above equation is simpler when expressed in
terms of wavelength . And the dividing it with 2h2c2
we have:
mc
h c

c=

(1-cos)
cc

Since, /c = 1/ and /c = 1/
mc 1
h

1
=

(1-cos)

Simplifying:
- = h
mc

(1-cos)

This is the required expression for Comptons

Scattering.

Compton Effect
Photons scattered back towards the
incident x-ray beam are called
Backscatter Radiation.
While important in radiation therapy,
backscatter in diagnostic x-ray is
sometimes responsible for the hinges
on the back of the the cassette to be
seen on the x-ray film

Experimental Verification
photon
Monochromatic
X-ray Source

Braggs X-ray
Spectrometer

Graphite
target
1. One peak is found at same
position. This is unmodified radiation
2. Other peak is found at higher
wavelength. This is modified signal of
low energy.
3.

increases with increase in .

Features of Compton
Scattering

Most likely to occur

As x-ray energy increases

As atomic number of the

absorber increases

As mass density of
absorber increases

With outer-shell electrons

With loosely bound
electrons.
Increased penetration
through tissue w/o
interaction.
Increased Compton relative
to photoelectric scatter.
Reduced total Compton
scattering.
No effect on Compton
Scatter
Proportional increase in
Compton Scatter.

Pair Production
If the incident x-ray
has sufficient
energy, it may
escape the electron
cloud and come
close enough to the
nucleus to come
under the influence
of the strong
electrostatic field of
the nucleus.

Pair Production
The interaction
with the nucleus
strong electrostatic
field causes the
photon to
disappear and in
its place appear
two electrons.

Pair Production
One is positively
charged and called
a positron while
the other remains
negatively
charged. This is
called Pair
Production.

The rest mass energy of an electron or positron is 0.51

MeV (according to E = mc2).
The minimum energy required for pair production is 1.02
MeV.
Any additional photon energy becomes the kinetic energy
of the electron and positron.
The corresponding maximum photon wavelength is 1.2 pm.
Electromagnetic waves with such wavelengths are called
gamma rays ( ) .

Pair Production
It take a photon
with 1.02 MeV to
undergo Pair
Production.
Therefore it is not
important to
diagnostic x-ray.

Pair Annihilation
When an electron and positron interact with each other due
to their opposite charge, both the particle can annihilate
converting their mass into electromagnetic energy in the
form of two - rays photon.

e e
Charge, energy and momentum are again conversed. Two

- photons are produced (each of energy 0.51

MeV plus half the K.E. of the particles) to conserve the
momentum.

Louis de Broglie (in 1923)

If light can behave
both as a wave and a
particle, I wonder if a
particle can also
behave as a wave?
The existence of de Broglie
waves was experimentally
demonstrated by 1927, and The
duality principle they represent
provided the starting point for
Schrodingers successful

Louis de Broglie
Ill try messing around with
some of Einsteins formulae and
see what I can come up with.

De Broglie

MATTER WAVES
We have seen that light comes in discrete units (photons) with
particle properties (energy and momentum) that are related to the
wave-like properties of frequency and wavelength.
In 1923 Prince Louis de Broglie postulated that ordinary matter can have
wave-like properties, with the wavelength related to momentum
p in the same way as for light

de Broglie relation
de Broglie wavelength

Plancks constant

h 6.63 1034 Js

NB wavelength depends on momentum, not on the physical size of the particle

Prediction: We should see diffraction and interference of matter waves

ELECTRON DIFFRACTION
The Davisson-Germer experiment (1927)
The Davisson-Germer experiment:
scattering a beam of electrons from
a Ni crystal. Davisson got the 1937
Nobel prize.

Davisson

G.P. Thomson

i
At fixed angle, find sharp peaks in
intensity as a function of electron energy
At fixed accelerating voltage (fixed
electron energy) find a pattern of sharp
reflected beams from the crystal

Davisson, C. J.,
"Are Electrons
Waves?," Franklin
Institute Journal
205, 597 (1928)

G.P. Thomson performed similar interference

experiments with thin-film samples

Davisson-Germer Experiment
If particles have a wave nature, then under
appropriate conditions, they should exhibit
diffraction
Davisson and Germer measured the
wavelength of electrons
This provided experimental confirmation of
the matter waves proposed by de Broglie

Davisson and Germer Experiment

Electrons were directed
onto nickel crystals
Accelerating voltage is
used to control electron
energy: E = |e|V
The scattering angle
and intensity (electron
current) are detected
is the scattering angle

Davisson and Germer Experiment

Davisson and Germer Experiment

If electrons are just particles, we expect a smooth
monotonic dependence of scattered intensity on
angle and voltage because only elastic collisions are
involved
Diffraction pattern similar to X-rays would be
observed if electrons behave as waves

5.3: Electron Scattering

Davisson and Germer experimentally observed that electrons were diffracted

much like x rays in nickel crystals.

George P. Thomson (18921975), son of J. J.

Thomson, reported seeing the effects of electron
diffraction in transmission experiments. The first
target was celluloid, and soon after that gold,
aluminum, and platinum were used. The randomly
oriented polycrystalline sample of SnO2 produces
rings as shown in the figure at right.
42

Incident Beam

Current vs accelerating voltage has a maximum (a bump or

kink noticed in the graph), i.e. the highest number of electrons
is scattered in a specific direction.
The bump becomes most prominent for 54 V at ~ 50

According to de Broglie, the wavelength associated with an

electron accelerated through V volts is

12.28 o

A
V
Hence the wavelength for 54 V electron
o
12.28

1.67 A
54

From X-ray analysis we know that the nickel crystal acts as a

plane diffraction grating with grating space d = 0.91

Here the diffraction angle, ~ 50

The angle of incidence relative to the family of Braggs plane

From the Braggs equation

2d sin
o

2 (0.91 A) sin 65 1.65 A

o

which is equivalent to the calculated by de-Broglies

hypothesis.
It confirms the wavelike nature of electrons

Electron Microscope: Instrumental Application of Matter Waves

Resolving power of any optical
instrument is proportional to the
wavelength of whatever (radiation or
particle) is used to illuminate the
sample. A n optical microscope uses
visible light and gives 500X
magnification/200 nm resolution.
Fast electron in electron microscope,
however, have much shorter
wavelength than those of visible
light and hence a resolution of ~0.1
nm/magnification 1,000,000X can
be achieved in an Electron
Microscope.

Double-Slit Experiment:
cannot predict where electron would land

Role of an Observer
The observer is objective and passive
Physical events happen independently of
whether there is an observer or not
This is known as objective reality

Double-Slit Experiment:
act of observation affects behaviour of electron

Role of an Observer in
Quantum Mechanics
The observer is not objective and passive
The act of observation changes the
physical system irrevocably
This is known as subjective reality

THE DOUBLE-SLIT EXPERIMENT

Originally performed by Young (1801) to demonstrate the wave-nature of light.
Has now been done with electrons, neutrons, He atoms among others.

y
d

d sin

Incoming coherent
beam of particles
(or light)
D

Alternative
method of
detection: scan a
detector across
the plane and
record number of
arrivals at each
point

Detecting
screen

For particles we expect two peaks, for waves an interference pattern

Two-slit Interference Experiment

Slit

Laser
Source

Slit

1 meter

Detector

Rate of photon arrival = 2 x 106/sec

Rate of photon detection = 105/sec
Time lag = 0.5 x 10-6 sec
Spatial separation between photons = 0.5 x 10-6 c = 150 m

 Taylors experiment (1908): double slit experiment with very dim

light: interference pattern emerged after waiting for few weeks
interference cannot be due to interaction between photons, i.e.
cannot be outcome of destructive or constructive combination of
photons
interference pattern is due to some inherent property of each
photon - it interferes with itself while passing from source to
screen
photons dont split
light detectors always show signals of same intensity
slits open alternatingly: get two overlapping single-slit diffraction
patterns no two-slit interference
add detector to determine through which slit photon goes:
no interference
interference pattern only appears when experiment provides
no means of determining through which slit photon passes

Double slit experiment QM interpretation

patterns on screen are result of distribution of photons
no way of anticipating where particular photon will strike
impossible to tell which path photon took cannot assign
specific trajectory to photon
cannot suppose that half went through one slit and half through
other
can only predict how photons will be distributed on screen (or
over detector(s))
interference and diffraction are statistical phenomena associated
with probability that, in a given experimental setup, a photon will
strike a certain point
high probability bright fringes
low probability dark fringes

Double slit expt. -- wave vs quantum

quantum theory

wave theory

pattern of fringes:
Intensity bands due to
variations in square of
amplitude, A2, of resultant
wave on each point on
screen
role of the slits:
to provide two coherent
sources of the secondary
waves that interfere on the
screen

pattern of fringes:
Intensity bands due to
variations in probability, P, of
a photon striking points on
screen

role of the slits:

to present two potential
routes by which photon can
pass from source to screen

EXPERIMENTAL RESULTS
Neutrons, A Zeilinger
et al. 1988 Reviews of
Modern Physics 60
1067-1073

He atoms: O Carnal and J Mlynek

1991 Physical Review Letters 66
2689-2692
C60 molecules: M
Arndt et al. 1999
Nature 401 680682
With
multiple-slit
grating
Without grating

Fringe
visibility
decreases as
molecules are
heated. L.
Hackermller
et al. 2004
Nature 427
711-714

Interference patterns can not be explained classically - clear demonstration of matter waves

Double-slit Experiment for Electrons

No of electrons 10

100

No of electrons 1000

100000

See also this Java simulation: http://www.quantum-physics.polytechnique.fr/index.html

DOUBLE-SLIT EXPERIMENT
BIBLIOGRAPHY
Some key papers in the development of the double-slit experiment during the 20th century:
Performed with a light source so faint that only one photon exists in the apparatus at any one time
G I Taylor 1909 Proceedings of the Cambridge Philosophical Society 15 114-115
Performed with electrons
C Jnsson 1961 Zeitschrift fr Physik 161 454-474,
(translated 1974 American Journal of Physics 42 4-11)
Performed with single electrons
A Tonomura et al. 1989 American Journal of Physics 57 117-120
Performed with neutrons
A Zeilinger et al. 1988 Reviews of Modern Physics 60 1067-1073
Performed with He atoms
O Carnal and J Mlynek 1991 Physical Review Letters 66 2689-2692
Performed with C60 molecules
M Arndt et al. 1999 Nature 401 680-682
Performed with C70 molecules showing reduction in fringe visibility as temperature rises
and the molecules give away their position by emitting photons
L. Hackermller et al 2004 Nature 427 711-714
Performed with Na Bose-Einstein Condensates
M R Andrews et al. 1997 Science 275 637-641
An excellent summary is available in Physics World (September 2002 issue, page 15)
and at http://physicsweb.org/ (readers voted the double-slit experiment the most beautiful in physics).

Heisenberg realised that ...

In the world of very small particles, one
cannot measure any property of a particle
without interacting with it in some way
This introduces an unavoidable uncertainty
into the result
One can never measure all the
properties exactly
Werner Heisenberg (1901-1976)

Measuring the position and

momentum
of an electron

Shine light on electron and detect reflected

light using a microscope
Minimum uncertainty in position
is given by the wavelength of the
light
So to determine the position
accurately, it is necessary to use
light with a short wavelength

Measuring the position and momentum

of an electron (contd)

By Plancks law E = hc/, a photon with a

short wavelength has a large energy
Thus, it would impart a large kick to the
electron
But to determine its momentum
accurately,
electron must only be given a small kick
This means using light of long wavelength!

Fundamental Trade Off

Use light with short wavelength:
accurate measurement of position but not
momentum

Use light with long wavelength:

accurate measurement of momentum but not
position

Heisenbergs Uncertainty
Principle

The more accurately you know the position (i.e.,

the smaller x is) , the less accurately you know the
momentum (i.e., the larger p is); and vice versa

Implications
It is impossible to know both the position and
momentum exactly, i.e., x=0 and p=0
These uncertainties are inherent in the
physical world and have nothing to do with the
skill of the observer
Because h is so small, these uncertainties are
not observable in normal everyday situations

Example of Baseball
A pitcher throws a 0.1-kg baseball at 40 m/s
So momentum is 0.1 x 40 = 4 kg m/s
Suppose the momentum is measured to an
accuracy
of 1 percent , i.e.,
p = 0.01 p = 4 x 10-2 kg m/s

Example of Baseball (contd)

The uncertainty in position is then

No wonder one does not observe the

effects of the uncertainty principle in
everyday life!

Example of Electron
Same situation, but baseball replaced by
an electron which has mass 9.11 x 10 -31 kg
So momentum
= 3.6 x 10-29 kg m/s
and its uncertainty = 3.6 x 10-31 kg m/s
The uncertainty in position is then

Another Consequence of
Heisenbergs Uncertainty
Principle

A quantum particle can never be in a state

of rest,
as this would mean we know both its
position and momentum precisely
Thus, the carriage will
be jiggling around the
bottom of the valley
forever

HEISENBERG MICROSCOPE (cont)

Photons transfer momentum to the particle when they scatter.
Magnitude of p is the same before and after the collision. Why?
p

Uncertainty in photon y-momentum

= Uncertainty in particle y-momentum

p sin / 2 p y p sin / 2
Small angle approximation

/2
p

p y 2 p sin / 2 p

h
de Broglie relation gives p h / and so p y

From before

hence

p y y h

HEISENBERG UNCERTAINTY PRINCIPLE.

HEISENBERG UNCERTAINTY PRINCIPLE

We will show formally (section 4)

xpx h/ 2
yp y h/ 2
z pz h/ 2
HEISENBERG UNCERTAINTY PRINCIPLE.

We cannot have simultaneous knowledge

of conjugate variables such as position and momenta.
Note, however,

xp y 0

etc

Arbitary precision is possible in principle for

position in one direction and momentum in another

Heisenbergs Uncertainty
Principle involving energy and
time

The more accurately we know the energy of a body,

the less accurately we know how long it possessed
that energy
The energy can be known with perfect precision (E = 0),
only if the measurement is made over an infinite period of
time (t = )

HEISENBERG UNCERTAINTY PRINCIPLE

There is also an energy-time uncertainty relation

E t h/ 2
Transitions between energy levels of atoms are not perfectly
sharp in frequency.

n=2

An electron in n = 3 will spontaneously

decay to a lower level after a lifetime
8
of order t : 10 s

n=1
There is a corresponding spread in
the emitted frequency

Intensity

E h 32

n=3

32

32 Frequency

Summary: Lessons from

Heisenberg
The idea of a perfectly predictable
universe cannot be true
There is no such thing as an ideal,
objective observer

CONCLUSIONS
Light and matter exhibit wave-particle duality
Relation between wave and particle properties
given by the de Broglie relations

E h

h
p

,
Evidence for particle properties of light
Photoelectric effect, Compton scattering
Evidence for wave properties of matter
Electron diffraction, interference of matter waves
(electrons, neutrons, He atoms, C60 molecules)
Heisenberg uncertainty principle limits
simultaneous knowledge of conjugate variables

xpx h/ 2
yp y h/ 2
zpz h/ 2

The Phase
Velocity
How fast is the wave
traveling?
Velocity is a reference
distance
divided by a reference time.

The phase velocity is the wavelength / period: v = /

Since f = 1/:

v = f

In terms of k, k = 2/ , and
the angular frequency, = 2/ , this is:

v =/k

The Group
Velocity

This is the velocity at which the overall shape of the waves amplitudes, or the
wave envelope, propagates. (= signal velocity)
Here, phase velocity = group velocity (the medium is non-dispersive)

Dispersion: phase/group velocity depends on

frequency

Black dot moves at phase velocity. Red dot moves at group velocity.
This is normal dispersion (refractive index decreases with increasing )

Dispersion: phase/group velocity depends on

frequency

Black dot moves at group velocity. Red dot moves at phase velocity.
This is anomalous dispersion (refractive index increases with increasing )

Waves: Phase and group velocities of a wave packet

The speed at which a given phase propagates does not coincide with the
speed of the envelope.

Note that the phase velocity is

greater than the group velocity.

Waves: Phase and group velocities of a wave packet

The group velocity is the velocity with which the envelope of the wave
packet, propagates through space.
The phase velocity is the velocity at which the phase of any one
frequency component of the wave will propagate. You could pick one
particular phase of the wave (for example the crest) and it would appear
to travel at the phase velocity.

Question: Is the P-wave speed a phase or a group velocity?

Expectation values
Thus if we know (x, t) (a solution of TDSE), then knowledge
of * dx allows the average position to be calculated:
x xi P( xi ) x
i

In the limit that x 0 then

the summation
becomes:

x x

xP( x)dx

x ( x, t ) dx

The average is also know as the expectation value and are very
important in quantum mechanics as they provide us with the
average values of physical properties because in many cases
precise values cannot, even in principle, be determined see later.
Similarly

x2

x 2 P ( x) dx

x 2 ( x, t ) dx

Normalisation
Total probability of finding a particle anywhere must be 1:

P ( x)dx

( x, t ) dx 1

This requirement is known as the Normalisation condition. (This

condition arises because the SE is linear in and therefore if is
a solution of TDSE then so is c where c is a constant.)
Hence if original unnormalised wavefunction is (x,t), then the

normalisation integral is: N 2 ( x, t ) 2 dx

And the (re-scaled) normalised wavefunction norm = (1/N) .

Example 1: What value of N normalises the function N x (x L)
of 0 x L?

Boundary conditions for

(x)

In order for to be a solution of the Schrdinger equation to

represent a physically observable system, must satisfy certain
constraints:
1. Must be a single-valued function of x and t;
2. Must be normalisable; This implies that the 0 as x
;
3. (x) must be a continuous function of x;
4. The slope of must be continuous, specifically d (x)/dx
must be continuous (except at points where potential is
infinite).(x)
(x)
(x)

Wave function
The quantity with which Quantum Mechanics is concerned
is the wave function of a body.
Wave function, is a quantity associated with a moving
particle. It is a complex quantity.
||2 is proportional to the probability of finding a particle at a
particular point at a particular time. It is the probability density.

| |2 *
is the probability amplitude.
Thus if

A iB

then

* A iB

| | * A i B A B
2

Normalization
||2 is the probability density.
The probability of finding the particle within an element of
d
volume
2

| | d

Since the particle is definitely be somewhere, so

2
|

|
d 1

Normalization

A wave function that obeys this equation is said to be

normalized.

Schrodingers time independent wave

equation
One dimensional wave equation for the waves associated
with a moving particle is
where

2x
A sin

(i)

is the wave amplitude for a given x.

A is the maximum amplitude.
is the wavelength

From (i)

2
4 2
2x
2 A sin
2
x

2
4 2
2
2
x

(ii)

mo v
2 2

1 mo v
2
2

1
2
2mo mo v
2

h2

1 2mo K

h2
where K is the K.E. for the non-relativistic
case
Suppose
E is the total energy of the particle
and V is the potential energy of the particle

1 2mo
2 (E V )
2

(iii)

Equation (ii) now becomes

2
4 2
2 2mo ( E V )
2
x
h
2 2mo
2 ( E V ) 0
2
x

This is the time independent (steady state) Schrodingers

wave equation for a particle of mass mo, total energy E,
potential energy V, moving along the x-axis.
If the particle is moving in 3-dimensional space
then

2 2 2 2mo
2 2 2 ( E V ) 0
2
x
y
z

2mo
2 ( E V ) 0

This is the time independent (steady state) Schrodingers

wave equation for a particle in 3-dimensional space.
For a free particle V = 0, so the Schrodinger equation
for a free particle

2mo
2 E 0

Schrodingers time dependent wave

equation
Wave equation for a free particle moving in +x direction is

Ae

i
( Et px )

(i)

where E is the total energy and p is the momentum of the

particle
Differentiating (i) twice w.r.t. x

2
p2
2
2
x

2
2
p
2
x

(ii)

E i
t

(iii)

Differentiating (i) w.r.t. t

iE

t

For non-relativistic case

E = K.E. +
Energy

Potential

p2
E
Vx ,t
2m

p2
E
V
2m

(iv)

Using (ii) and (iii) in (iv)

2 2
i

V
2
t
2m x
This is the time dependent Schrodingers wave equation
for a particle in one dimension.

Linearity and Superposition

If 1 and 2 are two solutions of any Schrodinger equation of a
system, then linear combination of 1 and 2 will also be a solution
of the equation..
a1 1 a2 2
is also a
solution
Here a1 & a2
are constants
Above equation suggests:
(i) The linear property of Schrodinger equation
(ii) 1 and 2 follow the superposition principle

If P1 is the probability density corresponding to 1 and P2 is the

probability density corresponding to 2
Then

1 2

Total probability will be

due to
principle

P | |2 | 1 2 |2

( 1 2 )* ( 1 2 )
( 1* 2* )( 1 2 )
1* 1 2* 2 1* 2 2* 1
P P1 P2 1* 2 2* 1
P P1 P2
Probability density cant be added linearly

superposition

Expectation values
Expectation value of any quantity which is a function of
x ,say f(x) is givenby

f (x)

f ( x) | | dx
2

for normalized

Thus expectation value for position

x is

x | | dx
2

Expectation value is the value of x we would obtain if we

measured the positions of a large number of particles
described by the same function at some instant t and
then averaged the results.

Q. Find the expectation value of position of a particle

having wave function = ax between x = 0 & 1, = 0
elsewhere.
Solution
1
1

x x | |2 dx a 2 x 3 dx
0

x
a

4
2

a2
x
4

Operators
(Another way of finding the expectation value)
An operator is a rule by means of which, from a given
function we can find another function.
For a free particle
Then

Here

Ae

i
( Et px )

i
p
x

p
i x
^

(i)

is called the momentum operator

Similarly

Here

i
E
t

E i
t
^

(ii)

is called the Total Energy operator

Equation (i) and (ii) are general results and their
validity is the same as that of the Schrodinger equation.

If a particle is not free then

^

E K .E. U

^
p
E
U
2mo
^

1
i

U
t 2m i x

U U

2 2
i
U
2
t
2m x

2 2
i

U
2
t
2m x
This is the time dependent Schrodinger equation

If Operator is Hamiltonian

2 2
H
U
2
2m x
^

Then time dependent Schrodinger equation can be

written as
^

H E

This is time dependent Schrodinger equation in

Hamiltonian form.

Eigen values and Eigen function

Schrodinger equation can be solved for some specific
values of energy i.e. Energy Quantization.
The energy values for which Schrodinger equation can be
solved are called Eigen values and the corresponding
wave function are called Eigen function.
Suppose a wave function () is operated by an operator
such that the result is the product of a constant say a and
the wave function itself
^ i.e.

th
en

is the eigen function

of
^

a is the eigen value

of

2
d
2x
Q. Suppose e
is eigen function of operator
2
dx
then find the eigen value.

d2
G 2
dx
^

Solutio
n.

d 2
d 2 2x
G 2 2 (e )
dx
dx
^

G 4e 2 x
^

G 4
The eigen value is 4.

Particle in a Box
Consider a particle of rest mass mo enclosed in a onedimensional box (infinite potential well). V
V
Boundary conditions for
Potential
0 for 0 < x <
L
for 0 > x > L

particle

V(x
)=
Boundary conditions
for

V 0

0 for x = 0
=

x=0

0 for x = L
{

x=L

Thus for a particle inside the box Schrodinger equation is

2 2mo
2 E 0
2
x

(i)

V 0

inside

h
2

p
k

(k is the
constant)

2mo E
p
k

2mo E
2
k
2

(ii)

Equation (i) becomes

2
2

k
0
2
x

(iii)

General solution of equation (iii) is

( x) A sin kx B cos kx

(iv)

propagation

Boundary condition says = 0 when x = 0

(0) A sin k .0 B cos k .0

0 0 B.1

B0

Equation (iv) reduces to

( x) A sin kx

(v)

Boundary condition says = 0 when x = L

( L) A sin k .L
0 A sin k .L
A 0 sin k .L 0
sin k .L sin n

kL n
n
k
L

(vi)

Put this in Equation (v)

nx
( x) A sin
L

When n # 0 i.e. n = 1, 2, 3., this gives = 0

everywhere.
Put value of k from (vi) in
(ii)

2mo E
k
2
2

2mo E

k
E
2mo

n2h2

2
8mo L

Where n = 1, 2, 3.

(vi
i)

Equation (vii) concludes

1. Energy of the particle inside the box cant be equal
to zero.
The minimum energy 2of the particle is obtained for
h
n=1
E1
(Zero Point
2
8mo L
Energy)
If

E1 0

momentum
0

i.e. 0
p

Butxmax L
since the particle is confined in the box of
dimension L.

Thus zero value of zero point energy violates the

Heisenbergs uncertainty principle and hence zero
value is not acceptable.
2. All the energy values are not possible for a particle
in
potential well.
Energy is Quantized
3.
En are the eigen values and n is the quantum
4.number.
Energy levels (En) are not equally spaced.
n = E
3
3
n =
2
n =
1

E2
E1

nx
n ( x) A sin
L
Using
condition

Normalization

( x) | dx 1
2

nx
A sin
dx 1
L
0
L

L
A 1 A
2
2

2
L

The normalized eigen function of the particle are

n ( x)

2
nx
sin
L
L

Probability density figure suggest that:

1. There are some positions (nodes) in the box that will
never be occupied by the particle.
2. For different energy levels the points of maximum
probability are found at different positions in the box.
|1|2 is maximum at L/2 (middle of the box)
|2|2 is zero L/2.

Particle in a Three Dimensional Box

Eigen energy

E Ex E y Ez

2
h
E (nx2 n y2 nz2 )
8mL2

Eigen
function

x y z

n yy
nxx
nzz
Ax Ay Az sin
sin
sin
L
L
L

n yy
nxx
2
nzz
sin
sin
sin
L
L
L
L

References:
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http://www.eequalsmcsquared.auckland.ac.nz/sites/emc2/tl/pee/overvi
ew.cfm
Einstein, Albert. (1905). On a Heuristic Viewpoint Concerning the
Production and Transformation of Light. Annalen der Physik, Vol 17,
132.
Elert, Glenn. Photoelectric Effect. Retrieved 10-28-05.
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Hamakawa, Yoshihiro. (2004). Thin-Film Solar Cells: Next generation
photovoltaics and its application. New York: Springer.
Lenardic, Denis. A Walk Through Time. Retrieved 11-12-05.
http://www.pvresources.com/en/history.php
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n.a. n.d. Philipp Lenard Biography. Retrieved 10-23-05.

http://nobelprize.org/physics/laureates/1905/lenard-bio.html
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http://www.lancs.ac.uk/ug/jacksom2/
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http://www-groups.dcs.stand.ac.uk/~history/HistTopics/The_Quantum_age_begins.html
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