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dv
F = qE = m
dt
F force, v velocity, t time,
F = qE = m*p
q electronic ch arg e,
q electronic ch arg e,
*
n
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Thin sample
(spatially varied charge creates multiple
phase delayed electron paths)
Phosphor Screen
(converts electron energy to visible light waves
constructively and destructively interfere to get light
and dark regions)
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KE =
1
m 2 = qV
2
h
2
Other useful properties of energy-particle waves: E = hf =
(2f ) = h = mc
2
Or the momentum of the photon is...
p = mc =
p=
hf h
2
= = h
= hk
c
k=2/ is independent of mass. Classically, p=mv. However, we will show that the
mass* will change with crystalline direction allowing two parameters (m and v) to
change the momentum. Thus, k is simpler to consider.
So how do we account for the wavelike nature of small particles like electrons?
Schrdenger Equation:
In Electrical Properties of Materials, Solymar and Walsh point out that there are NO
physical assumptions available to derive the Schrdenger Equation
Just like Newtons law of motion, F=ma, and Maxwells equations, the Schrdenger
Equation was proposed to explain several observations in physics that were previously
unexplained. These include the atomic spectrum of hydrogen, the energy levels of the
Planck oscillator, non-radiation of electronic currents in atoms, and the shift in energy levels
in a strong electric field.
KE + PE = ETotal
Kinetic energy
operator
h2 2
+ V = ih
2m
t
Potential electron
moves through
Energy
operator
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( x, y , z, t ) dxdydz or *dxdydz
2
or in 1D
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( x, y , z, t ) dxdydz = 1
2
[ dx ] = 1
Plugging this (*) into the Schrdinger equation and dividing both sides by (*) we arrive
at:
h 2 2
1 w
+ V = ih
w t
2m
Since the left hand side varies only with position, and the right hand side varies only with
time, the only way these two sides can equate is if they are equal to a constant ( we will
call this constant, total energy, E). Thus, we can break this equation into two equations:
1 w
E = ih
w t
h 2 2
+ V = E
2m
Consider first the time variable version (left side) then later we will examine the spatially
variable portion. This will give us time variable solutions and a separate spatially
variable solution.
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E = ih
1 w
w t
w
E
= i w
t
h
w( t ) = e
E
i t
h
or w(t ) = e (it )
where E = h
This equation expresses the periodic time nature of the wave equation.
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h 2 2
+ V = E
2m
The combined
operator is called
the Hamiltonian
momentum
operator
h2 2
+ V = E
2m
H = E
1
( jh )2 + V = E
2m
p 2
+ V = E
2m
Kinetic
Total
+ Potential =
Energy
Energy
Energy
Classically, momentum, p=mv and kinetic energy
is (mv2)/2 =(p2)/2m
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h2 2
+ V = E
2m
h2 2
E = 0
2
2m x
( x ) = Aeikx + Be ikx
2
2mE
h 2k 2
=
where k =
or E =
2
h
2m
Since we have to add our time dependent portion (see (*) previous) our total solution is:
= ( x ) w(t ) = Ae i (t kx ) + Be i (t + kx )
This is a standard wave equation with one wave traveling in the +x direction and one wave
traveling in the x direction. Since our problem stated that the electron was only traveling in
the +x direction, B=0.
Classically, momentum, p=mv and kinetic energy
is (mv2)/2 =(p2)/2m
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[ dx ] = 1
Aeikx Ae ikx dx = 1
A2eikx ikx dx = 1
A2dx = 1
This requires A to be vanishingly small (unless we restrict our universe to finite size) and is
the same probability for all x and t. More importantly it brings out a quantum phenomena: If
we know the electrons momentum, p or k, we can not know its position! This is a restatement
of the uncertainty principle:
p x
Where p is the uncertainty in momentum and x is the uncertainty in position
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= ( x ) w(t ) = Ae
While particles act as waves, their charge is carried as a particle. I.e. you can only say that
there is a probability of finding an electron in a particular region of space, but if you find it
there, it will have all of its charge there, not just a fraction.
Energy of moving particles follows a square law relationship:
Neudeck and Pierret Fig 2.3
p
h2k 2
E=
=
2m
2m
dE 1 dE
vg =
=
dp h dk
hk
Similarly, since E =
2m
d E
m* = h 2 2
dk
2
h2 2
+ V = E
2m
h2 2
(E Vo ) = 0
2
2m x
( x ) = Aeikx + Be ikx
2
h 2k 2
2mE Vo
=
Vo
where k =
or E =
2
h
2m
Since we have to add our time dependent portion (see (*) previous) our total solution is:
= ( x ) w(t ) = Ae i (t kx ) + Be i (t + kx )
This is, again, a standard wave equation with one wave traveling in the +x direction and one
wave traveling in the x direction. Since our problem stated that the electron was only
traveling in the +x direction, B=0.
When the electron moves through an electrostatic potential, for the same energy as in
free space, the only thing that changes is the wavelength of the electron.
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Region I
x=0
Region II
We have already solved these in regions I and II. The total solution is:
I = I ( x ) wI (t ) = AI e i (t k I x ) + BI e i (t + k I x )
II = II ( x ) wII (t ) = AII e i (t k II x ) + BII e i (t + k II x )
where k I =
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2mE
2
2mE Vo
and
k
=
=
II
h2
h2
II
x=0
Region II
I = I ( x ) wI (t ) = AI e i (t k I x ) + BI e i (t + k I x )
2mE
2
2mE Vo
and
k
=
=
II
II
h2
h2
I ( x = 0) = II ( x = 0)
AI + BI = AII
and
and
ik I ( AI BI ) = ik II AII
I ( x = 0) II ( x = 0)
=
x
x
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contd...
Region I
x=0
Region II
We can define a reflection coefficient as the amplitude of the reflected wave relative
to the incident wave,
BI k I k II
R
=
AI k I + k II
AII
2k I
=
AI k I + k II
2mE
2
2mE V
and k II =
=
2
h
h2
II
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I
R
T
kI =
II
BI k I k II
=
AI k I + k II
AII
2k I
=
AI k I + k II
=
2mE
2
2mE V
and k II =
=
2
h
h2
II
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Region I
x=0
Region II
R
T
kI =
BI k I k II
=
AI k I + k II
AII
2k I
=
AI k I + k II
=
2mE
2
2mE V
and k II =
=
2
h
h2
II
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Region I
x=0
Region II
Vo
Region I
x=0
x=a
Region II
The electron has a finite probability to tunnel through the barrier and will do so if the barrier is
thin enough. Once through, it will continue traveling on its way.
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Kronig-Penney Model
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Kronig-Penney Model
For 0<x<a:
For -b<x<0:
0
2 + V = E
2m
2
2
+
=0
2
x
2mE
where =
h2
2
h2 2
+ V = E
2m
2
2
+
=0
2
x
2m (E U o )
=
for E > U o
h2
a ( x ) = A sin(x ) + B cos(x )
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2m(U o E )
for 0 < E < U o
2
h
b ( x ) = C sin( x ) + D cos( x )
Kronig-Penney Model
For 0<x<a:
For -b<x<0:
a ( x ) = A sin(x ) + B cos(x )
b ( x ) = C sin( x ) + D cos( x )
a ( x ) = b ( x )
da ( x )
db ( x )
=
dx x =0
dx x =0
a ( x = a ) = eik ( a +b ) b ( x = b)
da ( x )
db ( x )
= eik ( a +b )
dx x =a
dx x = b
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BC for continuous
wave function at the
boundary
Kronig-Penney Model
Applying the boundary conditions, we get:
B=D
A = C
A sin(a ) + B cos(a ) = eik ( a +b ) [ C sin( b) + D cos( b)]
ik ( a +b )
Asin(a ) + e
sin( b) + B cos(a ) eik ( a +b ) cos( b) = 0
] [
w x A 0
y z B = 0
A and B are only non-zero (non-trivial solution) when the determinate of the above
set is equal to zero.
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Kronig-Penney Model
Taking the determinate and simplifying we get:
2 + 2
sin(a ) sin( b) + cos(a ) cos( b) = cos(k ( a + b) )
2
Plugging in the definitions for and we get:
1
2
2mU
Uo
E 2mU o
o
sin b
sin a
2
U
h
h2
o
E E
2 U U 1
o
o
2mU o E 2mU o
E
cos b
1 + cos a
2
U
U
h
h2
o
o
1 2
2mU
2mU
Uo
E
o
o
b
sinh
sin a
2
2
h
h
U
o
E
E
2 U 1 U
o
o
2mU
2mU o E
E
o
b
1
+ cos a
cosh
2
2
h
h
U
U
o
o
E
1
= cos(k ( a + b) ) for 0 < E < U o
U o
The right hand side is constrained to a range of +/- 1 and is a function of k only. The limits of
the right hand side (+/- 1) occurs at k=0 and +/- /(a+b) where a+b is the period of the crystal
potential.
The left hand side is NOT constrained to +/- 1 and is a function of energy only.
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Kronig-Penney Model
The right hand side is constrained to a range of +/- 1 and is a function of k only. The limits of
the right hand side (+/- 1) occurs at k=0 to +/- /(a+b).
The left hand side is NOT constrained to +/- 1 and is a function of energy only.
Within these forbidden energy
ranges, no solution can exist (i.e.
electrons can not propagate.
E/Uo
2mU o
2mU o
=b
=
2
h
h2
Kronig-Penney Model
Replotting the previous result in another form recognizing the lower k limit is shared by +
and /(a+b) while the upper limit is for k=0.
There are at most 2 k-values for each allowed energy, E
The slope, dE/dK is zero at the k-zone boundaries at k=0, k= /(a+b) and k= + /(a+b)
Thus we see that the velocity of the electrons approaches zero at the zone boundaries.
This means that the electron trajectory/momentum are confined to stay within the allowable
k-zones.
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Cubic GaN
kz
ky
kx
Crystal Momentum Space
http://britneyspears.ac/physics/dos/dos.htm
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Real Space
ECE 3080 - Dr. Alan Doolittle
Cubic GaN
k
z
k
k
Real Space
Suzuki, M, T. Uenoyama, A. Yanase, First-principles calculations of effective-mass parameters of AlN and GaN, Phys. Rev. B 52, 11 (1995), 8132-8139.
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