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Step Potential
Consider a particle of energy E moving in region in which the
potential energy is the step function
U(x) = 0,
x<0
U(x) = V0,
x>0
Step Potential
At x =0, an impulsive force
act on the particle. If the
initial energy E is less than
V0, the particle will be
turned around and will then
move to the left at its
original speed; that is, the
particle will be reflected by
the step. If E is greater than
V0, the particle will continue
to move to the right but with
reduced speed given by
v = 2(E U0)/m
Step Potential
We can picture this classical problem as a ball
rolling along a level surface and coming to a steep
hill of height h given by mgh=V0.
If the initial kinetic energy of the ball is less than
mgh, the ball will roll part way up the hill and then
back down and to the left along the lower surface at
it original speed. If E is greater than mgh, the ball
will roll up the hill and proceed to the right at a
lesser speed.
Step Potential
This problem is somewhat similar to that of total
internal reflection in optics.
For E>V0, the quantum mechanical result differs
from the classical result. At x=0, the wavelength
changes from
1=h/p1 = h/2mE
to
2=h/p2 = h/2m(E-V0).
When the wavelength changes suddenly, part of
the wave is reflected and part of the wave is
transmitted.
Reflection Coefficient
Since a motion of an electron (or other
particle) is governed by a wave equation, the
electron sometimes will be transmitted and
sometimes will be reflected.
The probabilities of reflection and
transmission can be calculated by solving the
Schrdinger equation in each region of space
and comparing the amplitudes of transmitted
waves and reflected waves with that of the
incident wave.
Reflection Coefficient
This calculation and its result are similar to finding the
fraction of light reflected from the air-glass interface. If R
is the probability of reflection, called the reflection
coefficient, this calculation gives:
(k1 k 2 ) 2
R
2
(k1 k 2 )
where k1 is the wave number for the incident wave and k2
is the wave number for the transmitted wave.
Transmission Coefficient
The result is the same as the result in optics for the
reflection of light at normal incidence from the boundary
between two media having different indexes of
refraction n.
The probability of transmission T, called the
transmission coefficient, can be calculated from the
reflection coefficient, since the probability of
transmission plus the probability of reflection must
equal 1:
T+R=1
In the quantum mechanics, a localized particle is
represented by the wave packet, which has a maximum
at the most probable position of the particle.
Barrier Potential
We consider a particle of
energy E , which is slightly
less than V0, that is incident
on the barrier from the left.
Classically, the particle
would always be reflected.
However, a wave incident
from the left does not
decrease immediately to
zero at the barrier, but it
will instead decay exponentially in the classically forbidden
region 0<x<a. Upon reaching the far wall of the barrier
(x=a), the wave function must join smoothly to a sinusoidal
wave function to the right of barrier.
Barrier Potential
If we have a beam of particle incident from left, all with the same
energy E<V0, the general solution of the wave equation are,
following the example for a potential step,
1 ( x) Ae
ik1 x
2 ( x) Ce
Be
ik1 x
De
3 ( x) Feik1x Ge ik1x
x0
0 xa
xa
Barrier Potential
For the case in which the quantity
a = 2ma2(V0 E)/2
is much greater than 1, the transmission coefficient
is proportional to e-2a, with
= 2m(V0 E)/2
The probability of penetration of the barrier thus
decreases exponentially with the barrier thickness
a and with the square root of the relative barrier
height (V0-E). This phenomenon is called barrier
penetration or tunneling. The relative probability of
its occurrence in any given situation is given by the
transmission coefficient.
- Decay
- Decay
An -particle inside the nucleus oscillates back and forth, being reflected
at the barrier at R. Because of its wave properties, when the -particle
hits the barrier there is a small chance that it will penetrate and appear
outside the well at r = r0. The wave function is similar to that for a square
barrier potential.
T e
2 2 m (V0 E )a
v
N
2R
decay
1
v
rate
e
2R
2 2 m (V0 E ) a
decay
1
v
rate
e
2R
2 2 m (V0 E ) a
Applications of Tunneling
Nanotechnology refers to the design and application of
Nuclear fusion
Protons can tunnel through the barrier caused by their
mutual electrostatic repulsion
SUMMARY
1. Time-independent Schrdinger equation:
2 d 2 ( x)
U ( x ) ( x ) E ( x )
2
2m dx
2.In the simple harmonic oscillator:
1
E n n 0
2
SUMMARY
4.Reflection and barrier penetration:
When the potentials changes abruptly over a
small distance, a particle may be reflected even
though E>U(x). A particle may penetrate a
region in which E<U(x). Reflection and
penetration of electron waves are similar for
those for other kinds of waves.
d ( x)
U ( x) ( x) E ( x)
2
2m dx
2
(1)
2 d 2 d 2 d 2
2 2 U E
2
2m dx
dy
dz
(2)
A12 sin 2 (k1x)dx A22 sin 2 ( k2 y )dy A12 sin 2 (k1x) A22 sin 2 (k2 y )dxdy
The probability of a particle being in the region dx, dy, and
dz is 2(x,y,x)dxdydz, where (x,y,z) is the solution of
equation
2
2
2
d d d
2 2 U ( x, y, z ) E (2)
2
2m dx
dy
dz
2
2 2 U ( x, y, z ) E
2
2m dx
dy
dz
(2)
2 2
2
2
E
(k1 k 2 k3 )
2m
E
p x2 p y2 p z2
2m
En1n2 n3
2 2 2
2
2
2
2
2
(n1 n2 n3 ) E1 (n1 n2 n3 )
2
2mL
3 2 2
E1,1,1
3E1
2
2mL
2x
y
z
2,1,1 A sin
sin sin
L
L
L
There are thus three different quantum states as described by
three different wave functions corresponding to the same
energy level. The energy level with more than one wave
function are associate is said to be degenerate. In this case,
there is threefold degeneracy.
2m
2
En1n2 n3
n
n
n
L L L
2
1
2
1
2
2
2
2
2
3
2
3
This energy level are not degenerate if L1, L2, and L3 are all
different.
Figure shows the energy levels for the ground state and
first two excited levels for an infinity cubic well in which the
excited states are degenerated and for a noncubic infinity well in
which L1, L2, and L3 are all slightly different so that the excited
levels are slightly split apart and the degeneracy is removed.
Example 1.
A particle is in three-dimensional box with
L3=L2=2L1. Give the quantum numbers n1,
n2, and n3 that correspond to the thirteen
quantum states of this box that have the
lowest energies.
Example 2.
Write the degenerate wave function for the
fourth and fifth excited states (level 5 and
6) from the Example1.
d ( x1 , x2 ) d ( x1 , x2 )
U ( x1 x2 ) E ( x1 x2 )
2
2
2m
dx1
2m
dx2
2
2 d 2 ( x1 , x2 ) 2 d 2 ( x1 , x2 )
U ( x1 x2 ) E ( x1 x2 )
2
2
2m
dx1
2m
dx2
looks just like the expression for a two-dimensional
well
2 d 2 d 2 d 2
2 2 U E
2
2m dx
dy
dz
2 2 U E
2
2m dx
dy
dz
x1
2x2
1, 2 A sin
sin
L
L
x1
2x 2
x2
2x1
S A sin
sin
sin
sin
L
L
L
L
and
x1
2x 2
x2
2x1
A A sin
sin
sin
sin
L
L
L
L
2 d 2 d 2 d 2
2 2 V E
2
2m dx
dy
dz
For a single isolated atom, the potential energy V
depends only on the radial distance r = x2 + y2 + z2 .
The problem is then most conveniently treated using
the spherical coordinates.
2 (1)
U E
2
2
2m dx
dy
dz
The transformation of the wave term in the equation:
d 2 d 2 d 2 1 d 2 d
1 1 d
d
1 1 d 2
2 2 2
r
2
sin
2
2
dx
dy
dz
r dr
dr r sin d
d r sin 2 d 2
r
2
2mr dr
dr 2mr 2
1 d
d
1 d 2
2
sin
U
(
r
)
2
2
sin
sin
The potential energy U(r) appears only in equation for R(r), which is called the radial equation
kZe
U (r )
r
En
E0
Z 2mk 2e 4
2 2
2 n
mk 2e 4
2
13.6eV
E0
n
n 1,2,3,....
1,0, 0 C1, 0, 0 e
Zr
a0
where
2
a0
0.0529nm
2
mke
dV
0
2
C
1,0,0e
2 Zr
a0
r sin d d dr
r 2 sin d d dr 1
This gives
dV
d sin d
0
0
2
2 C1,0,0
2 Zr
2 a0
r e
C12,0,0e
dr 1
n ax
x
e dx
0
2 Zr
a0
2
r dr
x e
n ax
n!
dx n 1
a
so
2 Zr
a0
2
r e
0
3
0
a
dr
4Z 3
Than
4C
2
1, 0 , 0
1
3
4Z
3
0
so
C1, 0, 0
a0
Probability Densities
The normalized ground-state wave function is thus
1, 0, 0
a0
Zr
a0
Probability Densities
We are more often interested in the probability of finding
the electron at some radial distance r between r and r+dr. This
radial probability P(r)dr is ||2dV, where dV is the volume of the
spherical shell of thickness dr, which is dV=4r2dr.
The probability of finding the electron in the range from r to
r+dr is thus
2
P (r )dr 4r 2 dr
and the radial probability density is
P (r ) 4r
2
Probability Densities
For the hydrogen atom in the ground state, the
radial probability density is
2 Zr
a0
2
P (r ) 4r 4C1, 0, 0 r e
2
Z 2
r e
4
a0
2 Zr
a0
Radial probability density P(r) vs. r/a0 for the n=2 states
in hydrogen. P(r) for l=1 has a maximum at the Bohr
value 22a0. For l = 0 there is a maximum near this value
and a smaller submaximum near the origin. The markers
on the r/a0 axis denote the values of (r/a0).
A particle moving in a
circle has angular
momentum L. If the
particle have a positive
charge, the magnetic
moment due to the
current is parallel to L.
Bar-magnet model of
magnetic moment.
(a) In an external
magnetic field, the
moment experiences a
torque which tends to
align it with the field. If
the magnet is spinning
(b), the torque caused
the system to precess
around the external
field.
kZe
U (r )
r
mk 2 e 4
2 E0
En 2 2 Z 2
2 n
n
mk 2 e 4
E0
13.6eV
2
2
n 1,2,3,....
En
2
Z eff
E0
2
Z eff
(13.6eV )
0,1
0 ,1
0, 1, 2
ms
10
Sub
shell
Total
States
18
s
p
d
f
g
(=0) ( =1) ( =2) ( =3) ( =4)
2
-
Total
elect.
number
10
18
10
14
32
10
14
18
50
Element
1s
2s 2p
3s3p3d
nZ
1s
He
1s2
Li
1s2, 2s
Be
1s2, 2s2
1s2, 2s2, 2p
10
Ne
Example
The double charged ion N+2 is formed by removing
two electrons from a nitrogen atom. (a) What is the
ground state electron configuration for the N+2 ion? (b)
Estimate the energy of the least strongly bond level in
the L shell of N+2.
The double charged ion P+2 is formed by removing
two electrons from a phosphorus atom. (c) What is the
ground-state electron configuration for the P+2 ion? (d)
estimate the energy of the least strongly bound level in
the M shell of P+2.
1s (r )
a 3
Atomic Spectra
Atomic spectra include optical spectra and X-ray
spectra. Optical spectra result from transmissions
between energy levels of a single outer electron
moving in the field of the nucleus and core
electrons of the atom.
Characteristic X-ray spectra result from the
excitation of a inner core electron and the
subsequent filling of the vacancy by other electrons
in the atom.
Selection Rules
Transition between energy states with the
emission of a photon are governed by the
following selection rules
m = 0 or 1
= 1