Lecture 8:

Particles in (In)finite Potential Wells

V(x)
(x)
AlGaAs GaAs AlGaAs
V0

n=2 n=1 n=4 n=3

I II III

V(x)

0 L
x

Lecture 11, p 1

Today

Infinitely deep 1D square well (“box”)

Boundary conditions  (x) = Nsin(kx), where k = n/L.
Discrete energy spectrum: En = n2E1, where E1 = h2/8mL2.
Normalization: N = (2/L).

“Normalizing” the wave function

General properties of bound-state wave functions

Particle in a finite square well potential

Solving boundary conditions
Midterm material
Comparison with infinite-well potential ends here.

Lecture 11, p 2
 “Particle in a Box”
As a specific important example, consider a quantum particle
confined to a region, 0 < x < L, by infinite potential walls.
We call this a “one-dimensional (1D) box”.

V(x) V = 0 for 0 < x < L

  V =  everywhere else

We already know the

form of  when V = 0.
It’s sin(kx) or cos(kx).
However, we can constrain
0  more than this.
L

Lecture 11, p 3

Particle in a Box

The waves have exactly the same form as standing waves on a string,
sound waves in a pipe, etc.

The wavelength is determined by the condition that it fits in the box.

On a string the wave is a displacement y(x) and the square is the

intensity, etc. The discrete set of allowed wavelengths results in a
discrete set of tones that the string can produce.

In a quantum box, the wave is the probability amplitude (x) and the
square |(x)|2 is the probability of finding the electron near point x.
The discrete set of allowed wavelengths results in a discrete set of
allowed energies that the particle can have.

Lecture 11, p 4
Particle in a Box

Lecture 11, p 5

Lecture 11, p 6
PHY510
Standing
Waves

Lecture 11, p 7

Boundary conditions
We can solve the SEQ wherever we know V(x). However, in many
problems, including the 1D box, V(x) has different functional forms in
different regions. In our box problem, there are three regions:
V(x)
 
1: V(x) =  x < 0
2: V(x) = 0 0 < x < L
3: V(x) =  x > L
0 L
(x) will have different functional forms in the different regions.
We must make sure that (x) satisfies the constraints (e.g., continuity) at
the boundaries between these regions.

The extra conditions that  must satisfy are called “boundary conditions”.
They appear in many problems.

Lecture 11, p 8
 Boundary conditions  Standing waves
 A standing wave is the solution for a wave confined to a region
 Boundary condition: Constraints on a wave where the potential changes
 Displacement = 0 for wave on string E = 0 at surface of a
conductor

E=0
 If both ends are constrained (e.g., for a cavity of length L), then only certain
wavelengths are possible:
n  f
1 2L v/2L

2 L v/L n = 2L
n = 1, 2, 3 …
3 2L/3 3v/2L ‘mode index’

4 L/2 2v/L
L
n 2L/n nv/2L

Particle in a Box (1)

Regions 1 and 3 are identical, so we really only need to deal with two
distinct regions, (I) outside, and (II) inside the well
V(x)
 
Region I: When V = , what is x?

d 2  ( x ) 2m I II I
 2 (E  V ) ( x )  0
dx 2 
 
For V = , the SEQ can only be satisfied if: 0 L
V = 0 for 0 < x < L
I(x) = 0 V =  everywhere else

Otherwise, the energy would have to be infinite, to cancel V.

Note: The infinite well is an idealization.

There are no infinitely high and sharp barriers.

Lecture 11, p 10
 Particle in a Box (2) 
V(x)

Region II: When V = 0, what is x?
d 2  ( x ) 2m II
 2 (E  V ) ( x )  0
dx 2 
2mE d  (x)
2 
 2mE 
k2  2 2
   2  ( x )
 dx    0 L
D 2 2

 k   x   0   x   Ae i kx

The general solution is a superposition of sin and cos:

2
 ( x )  B1 sin kx  B2 cos kx where, k 

Remember that k and E are related:

p 2 2k 2 h2
E   Because V = 0
2m 2m 2m 2
B1 and B2 are coefficients to be determined by the boundary conditions.
Lecture 11, p 11

Particle in a Box (3) 

V(x)

Now, let’s worry about the boundary conditions.
I II I
Match  at the left boundary (x = 0).

Region I:  I (x)  0  

0 L
Region II:  II ( x )  B1 sin kx  B2 cos kx

Recall: The wave function (x) must be continuous at all boundaries.

Therefore, at x = 0:

 I (0)   II (0)
 0  B1 sin  0   B2 cos  0 

0  B2 because cos(0) = 1 and sin(0) = 0

This “boundary condition” requires that there be no cos(kx) term!

Lecture 11, p 12
 Particle in a Box (4) 
V(x)

Now, match  at the right boundary (x = L).
I II I
At x = L:  I (L )   II (L )


 0  B1 sin  kL  

This constraint requires k to have special values: 0 L

n 2 2mE
kn  n  1, 2, ... Using k  , we find: n  2L k2 
L  2
2k 2
This is the same condition we found for confined waves,
E
2m
e.g., waves on a string, EM waves in a laser cavity, etc.: h2 n2  2
E
n  (= v/f) 4 2  2m  L2
L/2 E   h 4  n 2 For matter waves, the
2
4
 2 2  wavelength is related to
 8mn  
n

3 2L/3 the particle energy:

h2 E = h2/2m2  h2  2
2 L En   2 
n
En   8mL 
2m 2
1 2L Therefore
Lecture 11, p 13

The Energy is Quantized  h2  2

Due to Confinement by the Potential En   2 
 8mL 
n

The discrete En are known as “energy eigenvalues”:

electron n  (= v/f) E
nn  2L
4 L/2 16E1
p2 h2 1.505 eV  nm 2
En   
2m 2mn2 n2 3 2L/3 9E1
h2 2 L 4E1
En  E1n 2 where E1 
8mL2 1 2L E1

V= V=
Important features: En
 Discrete energy levels. n=3
 E1  0  an example of the uncertainty principle
 Standing wave (±p for a given E) n=2
 n = 0 is not allowed. (why?) n=1

E t  0 L x
2
Lecture 11, p 14
 Particle in Infinite Square Well Potential
 2   n 
 n ( x)  sin  kn x   sin  x   sin  x for 0  x  L
(x)  n   L 
n=2 n=1 n=3
nn  2L
0 L x
2 d 2  n ( x )
  V ( x ) n ( x )  En n ( x )
2m dx 2
The discrete En are known as “energy eigenvalues”:
electron
V= V=
En
n=3
p2 h2 1.505 eV  nm 2
En   
2m 2mn2 n2 n=2
2
h n=1
En  E1n 2 where E1 
8mL2 0 L x
Lecture 11, p 15

Probabilities
Often what we measure in an experiment is the probability density, |(x)|2.
 n  Wavefunction =  n  Probability per
 n ( x)  B1 sin  x  Probability amplitude
2
 n ( x)  B12 sin 2  x unit length
 L   L  (in 1-dimension)

 
V= U=
n=1

0 L x 0 L x

 

n=2
0 L x 0 L x

 

0 L x n=3
0 L x
Lecture 11, p 16
 Probability and Normalization
 n 
We now know that  n ( x )  B1 sin  x  . How can we determine B1?
 L 
We need another constraint. It is the requirement that
total probability equals 1.   Integral under
the curve = 1
|B1|2
The probability density at x is |(x)|2: n=3
0 L x

   x  dx
2
Therefore, the total probability is the integral: Ptot 

2
 n 
L
In our square well problem, the integral is

2
simpler, because  = 0 for x < 0 and x > L: Ptot  B1 sin  x  dx
0  L 
2 L
2  B1
Requiring that Ptot = 1 gives us: B1  2
L
Lecture 11, p 17

Probability Density
n 
In the infinite well: P  x   N 2 sin2  x  . (Units are m-1, in 1D)
 L 
Notation: The constant is typically written as “N”, and 2
N
is called the “normalization constant”. For the square well: L

One important difference with the classical result:

For a classical particle bouncing back and forth in a well, the probability
of finding the particle is equally likely throughout the well.
For a quantum particle in a stationary state, the probability distribution is
not uniform. There are “nodes” where the probability is zero!


N2

n=3 0
L x

Lecture 11, p 18
 Properties of Bound States
Several trends exhibited by the particle-in-box states are generic to
bound state wave functions in any 1D potential (even complicated ones).
1: The overall curvature of the wave function increases with increasing kinetic
energy.
 d  (x) p
2 2 2
  for a sine wave
2m dx 2 2m (x)

n=2 n=1 n=3

2: The lowest energy bound state always has finite kinetic
energy -- called “zero-point” energy. Even the lowest
energy bound state requires some wave function
curvature (kinetic energy) to satisfy boundary conditions. 0 L x

3: The nth wave function (eigenstate) has (n-1) zero-crossings.

Larger n means larger E (and p), which means more wiggles.
 h2  2
En   2 
n
 8mL 
4: If the potential V(x) has a center of symmetry (such as the center of the well
above), the eigenstates will be, alternately, even and odd functions about that
center of symmetry.
Lecture 11, p 19

Particle in a Finite Well (1)

What if the walls of our “box” aren’t infinitely high?
We will consider finite V0, with E < V0, so the particle is still trapped.

This situation introduces the very important concept of “barrier penetration”.

As before, solve the SEQ in the three regions.

V(x)
Region II:
U = 0, so the solution is the same as before: V0
 II ( x )  B1 sin kx  B2 cos kx E
We do not impose the infinite well boundary I II  III
conditions, because they are not the same here.
We will find that B2 is no longer zero.
0 L
Before we consider boundary conditions,
we must first determine the solutions in regions I and III.

Lecture 11, p 20
 Particle in a Finite Well (2)
Regions I and III: Because E < V0, these regions
V(x) = Vo, and E < V0 are “forbidden” in classical particles.

The SEQ d  (2 x )  2m
2

2
(E  V ) ( x )  0 can be written:
dx 
d 2 (x) In region II this
2
 K 2 ( x )  0 was a + sign.
dx
2m
where: K V0  E  V0 > E: V(x)
2 K is real.

V0

The general solution to this equation is: E

Region I:  ( x )  C eKx  C e  Kx
1 2
I II III
I
 
Region III:  III ( x )  D1e  D2e Kx  Kx
0 L

C1, C2, D1, and D2, will be determined by the boundary conditions.
Lecture 11, p 21

Particle in a Finite Well (3)

Important new result! (worth putting on its own slide)

For quantum entities, there is a finite probability amplitude, , to find

the particle inside a “classically-forbidden” region, i.e., inside a barrier.

 I ( x )  C1e Kx  C2e  Kx
V(x)

V0

I II III
 
0 L

Lecture 11, p 22
 ACT 2 V(x)

In region III, the wave function has the form

V0

 III ( x )  D1e  D2e

Kx  Kx
E

I II III
1. As x  , the wave function must vanish.  
(why?) What does this imply for D1 and D2?
0 L

a. D1 = 0 b. D2 = 0 c. D1 and D2 are both nonzero.

2. What can we say about the coefficients C1 and C2 for the wave
function in region I?
 I ( x )  C1e  C2e
Kx  Kx

a. C1 = 0 b. C2 = 0 c. C1 and C2 are both nonzero.

Lecture 11, p 23

Particle in a Finite Well (4)

Summarizing the solutions in the 3 regions: V(x)

V0
Region I:  I ( x )  C1e Kx
E

I II
 III
Region II:  II ( x )  B1 sin(kx )  B2 cos(kx )
0 L
Region III:  III ( x )  D2e  Kx
As with the infinite square well, to determine Useful to know:
In an allowed region,
parameters (K, k, B1, B2, C1, and D2) we must
 curves toward 0.
apply boundary conditions. In a forbidden region,
curves away from 0.

Lecture 11, p 24
 Particle in a Finite Well (5)
V(x)
The boundary conditions are not the same as
for the finite well. We no longer require that V0
 = 0 at x = 0 and x = L. E

I II
 III
Instead, we require that (x) and d/dx be
continuous across the boundaries:
0 L
 is continuous d/dx is continuous
d I d II
At x = 0:  I   II 
dx dx
d II d III
At x = L:  II   III 
dx dx
Unfortunately, this gives us a set of four transcendental equations.
They can only be solved numerically (on a computer).
We will discuss the qualitative features of the solutions.
Lecture 11, p 25

Particle in a Finite Well (6)

What do the wave functions for a particle V(x)
in the finite square well potential look like?
V0
They look very similar to those for the
infinite well, except …
n=4 n=2 n=1 n=3

The particle has a finite probability

to “leak out” of the well !!
0 L

Some general features of finite wells:

 Due to leakage, the wavelength of n is longer for the finite well.
Therefore En is lower than for the infinite well.

 K depends on V0 - E. For higher E states, e-Kx decreases more slowly.

Therefore, their  penetrates farther into the forbidden region.

 A finite well has only a finite number of bound states.

If E > U0, the particle is no longer bound.
Lecture 11, p 26
 Summary
Particle in a finite square well potential
 Solving boundary conditions:
You’ll do it with a computer in lab. We described it qualitatively here.

 Particle can “leak” into forbidden region.

We’ll discuss this more later (tunneling).

 Comparison with infinite-well potential:

The energy of state n is lower in the finite square
well potential of the same width.
We can understand this from the uncertainty principle.

Lecture 11, p 27