semi-conducting magnetic materials-week 2-jan 16-2012
TRANSCRIPT
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
1/93
Semi-conducting & Magnetic Materials
Prof S. B. Sant
Department of Metallurgical & Materials EngineeringIIT Kharagpur
Week 2
MT41016
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
2/93
Semi-conducting & Magnetic Materials
Schrdinger Equation:
Time-Independent (Stationary conditions)
&
Time-Dependent (wave equation)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
3/93
Semi-conducting & Magnetic Materials
Schrdinger Equation:Time-Independent (Stationary conditions)
Potential Energy (or potential barrier) depends only on thelocation. Equation of vibration.
Where,
m is the rest mass of an electron (also called mo)
And the total energy of the system is given by,
E = Ekin + V
( ) 02
2
2=+ VE
m
2
2
2
2
2
2
zyx
+
+
=
(3.1)
(3.2)
(3.3)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
4/93
Semi-conducting & Magnetic Materials
Schrdinger Equation:Time-Dependent (wave equation)
(x, y, z, t) = (x, y, z). e it
From equation (2.1), E = v.h =
Differentiating equation (3.4), we have for:
i.e.,
(2.1) & (3.6) gives:
i.e.,
(3.4)
ieit
ti==
(3.5)
t
i
= (3.6)
t
iE
= (3.7)
0
222
2
=
t
mimV
(3.8)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
5/93
Semi-conducting & Magnetic Materials
Special Properties of Vibrational Problems
Boundary conditions yield the constants to solve equations. (e.g. = 0 at x = 0)
Consider a vibrating string: Fixed ends do not undergo vibration.
When boundary conditions are used for vibrating problems we call them boundary oreigenvalue problems.
Not all frequency values are possible and since E = vh, not all values for energy are allowed.
The function belonging to the Eigenvalues, are solutions of the vibration equation & satisfythe boundary conditions are called Eigenfunctions of the differential equation.
We saw that . * is the probability of finding a particle at a certain location. Likewise, theprobability of finding a particle somewhere in space is one or
1*.
2==
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
6/93
Semi-conducting & Magnetic Materials
Solutions to the Schrdinger Equation:
Four specific problems
1.0 Free Electrons:
Electrons that propagate freely potential-free space in +ve x-direction No potential barrier (V).
2.0 Bound Electrons: In a potential Well.
Electrons bound to its atomic nucleus.3.0 Finite Potential Barrier: Tunnel effect
Free electrons encounters a potential barrier with potential energy,
V0 > total energy E of the electron.4.0 Electron in a Periodic Field of a Crystal (the Solid State)
Atoms in a crystal are arrange periodically.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
7/93
Semi-conducting & Magnetic Materials
Solutions to the Schrdinger Equation:
Four specific problems
1.0 Free Electrons: Electrons that propagate freely potential-
free space in +ve x-direction No potential barrier (V).From equation (3.1),
Or,
Differential equation for an undamped vibration with spatial
periodicity whose solution is:
Where
(3.1)
( ) xiAex =
(4.1)
(4.2)
( ) 02
2
2=+ VE
m
02 22
2
=+ Emx
2
2
mE= (4.3)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
8/93
Semi-conducting & Magnetic Materials
1.0 Free Electrons: continued
In equation (3.4), we saw that (x, y, z, t) = (x, y, z). e it
Combining (3.4) with equation (4.2) above,
Since we only consider propagation in +ve x-direction,
From equation (4.3),
For free-flying electron, there is no boundary condition all
values of energy are allowed we have energy continuum
(4.5)
(4.6)
tixi eAex .)( =
2
2
2
mE =
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
9/93
Semi-conducting & Magnetic Materials
1.0 Free Electrons: continued
This yields:
(2.3)
(4.3)
k
pmE
====
222
(4.7)
22
2
m
E
=
m
pEk
2
2
= (1.4)
2
2
mE=
=p
(4.6)
22
2k
mE
= (4.8)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
10/93
Semi-conducting & Magnetic Materials
1.0 Free Electrons: continued
The term 2/was defined to be the wave number, k same as .
From (4.7) we see that
where p is the momentum, and p = m.v, therefore, proportional to the velocity ofelectrons.
Since momentum & velocity are vectors, kis a vector too.
The vectorkwith components kx, k
yand k
zis:
(4.9)
pk
2k=
Since k is inversely proportional to the wavelength, , it is also called the wave
vector and describes the wave properties of electrons.
K and p are mutually proportional, the proportionality factor is 1/.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
11/93
Semi-conducting & Magnetic Materials
Solutions to the Schrdinger Equation:2.0 Bound Electrons: In a potential Well.
Electrons bound to its atomic nucleus.
Figure 4.2: One-dimensional potential well. Walls are infinitely high potentialbarriers.
Electrons move freely between 2 infinitely high potentialbarriers that do not allow the electrons to escape.
= 0 at x 0 and x a
V
xo a
nucleus
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
12/93
Semi-conducting & Magnetic Materials
2.0 Bound Electrons: In a potential Well. continuedWe can begin with the one-dimensional case, but, as the electrons arereflected by the walls, we will have propagation in the +ve and vex-direction.
The Potential Energy inside the well is zero, hence,
Due to the 2 propagating directions, the solution to (4.10) is:
Where,
(4.10)02
22
2
=+
E
m
x
xixi BeAe +=
2
2
mE=
(4.12)
(4.11)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
13/93
Semi-conducting & Magnetic Materials
2.0 Bound Electrons: In a potential Well. continued
The constants A and B are determined by the boundary
conditions mentioned earlier, i.e.,
= 0 at x 0 and x aThis is similar to that of a vibrating string where there is no
vibration at the clamped ends.
Thus, from (4.11), using = 0 at x 0; B = - A
Using = 0 at x a, and (4.13), we have
(4.13)
aiaiaiai eeABeAe =+== 0 (4.14)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
14/93
Semi-conducting & Magnetic Materials
2.0 Bound Electrons: In a potential Well. continued
Using the Euler equation
We rewrite equation (4.14) as:
Equation (4.16) is only valid ifsin a = 0, i.e., if
a = n, where, n = 0, 1, 2, 3
Substituting from (4.12) into (4.17) gives:
(4.15)
(4.16)
( )
ii
eei
=
2
1
sin
0sin.2 == aAieeA aiai
(4.17)
2
2
222
2
22n
mam
En
== where, n = 0, 1, 2, 3 (4.18)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
15/93
Semi-conducting & Magnetic Materials
2.0 Bound Electrons: In a potential Well. continued
Because of the boundary conditions, only certain solutions of theSchrdinger Equation exist where n is an integer.
The energy assumes only those values determined by (4.18) calledEnergy Levels.
Therefore, when electrons are excited or absorbed, they possesdiscrete values called energy quantization and the lowest energyis called zero-point energy when n=1. This is not the at the
bottom of the well, rather, somewhat higher than the bottom.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
16/93
Semi-conducting & Magnetic Materials
2.0 Bound Electrons: In a potential Well. continued
The Wave function and the probability * for finding an
electron within the potential well.
According to (4.11), (4.13) and the Euler equation (4.15) we obtainwithin the well:
= 2Ai.sin x
And the complex conjugate of
* = -2Ai.sin x
The product * = 4A2.sin2 x
(4.19)
(4.20)
(4.21)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
17/93
Semi-conducting & Magnetic Materials
2.0 Bound Electrons: In a potential Well. continued
i.e., 2r = n or
Therefore only distinct orbits are allowed, viz-a-viz allowed energylevels discussed earlier.
Consider the wave mechanical properties of a Hydrogen atom.Electron with charge, -e is bound to its nucleus.
Potential,V, in which the electron propagates is taken as the
Coulombic potential:
nr
2=
r
eV
o4
2
=
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
18/93
Semi-conducting & Magnetic Materials
2.0 Bound Electrons: In a potential Well. continued
Equations (4.19) and (4.21) are plotted in figure 4.4
In figure 4.4(a) the standing electron waves are created between thewalls of the potential well. The integer multiples of half a wavelengthare equal to the length, a, of the potential well.
The probability of finding the electron at a certain place within thewell, * is shown in figure 4.4(b).For n=1, * is largest at the middle of the well while
For n=2, * is largest at 1/4a and 3/4a.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
19/93
Semi-conducting & Magnetic Materials
2.0 Bound Electrons: In a potential Well. continuedWe know that the electrons move in distinct orbits around apositively charged nucleus.
As in figure (4.4)a, the electron waves associated with an orbitingelectron have to be standing waves. Why?
If not, after one orbit the electron wave would be out of phase with
itself. If this continues, then the waves would annihilate itself bydestructive interference.
Therefore there is a radius for the orbiting electron that results in a
continuum of the wave pattern such that the circumference has to bean integral multiple, n, of the wavelength .
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
20/93
Semi-conducting & Magnetic Materials
2.0 Bound Electrons: In a potential Well. continuedSolving this we obtain Discrete Energy Levels:
( ) )(1
6.131
42 2220
4
eVnn
meE == (4.18a)
o
n = 1
n =
n = 3
n = 2
(ionization energy)
-13.6 eV
Energy is -1/n2 (and not n2)
Crowding of energy
levels at higher energies
E
Energy at lowest level
that needed to remove
an electron from its nucleus
Energy diagrams
Common in
Spectroscopy
Origin - arbitrary
Ionization
Energies
Counted
Negative
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
21/93
Semi-conducting & Magnetic Materials
2.0 Bound Electrons: In a potential Well. continuedFor a 3-Dimensional Well:
Smallest allowed energy in a 3-D potential well occurs when
nx = ny = nz = 1
For the next higher energy 3 possibilities for combinations of
n-values, i.e., (nx ,ny ,nz ) is (1,1,2), (1,2,1), (2,1,1)
States that have the same energy, but, different Quantum Numbers,are called Degenerate States
( )222222
2zyxn nnn
maE ++=
where, n = 0, 1, 2, 3
(4.26)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
22/93
Semi-conducting & Magnetic Materials
3.0 Finite Potential Barrier: Tunnel effectAssume that a free electron, propagating in the +ve x-direction,encounter a potential barrier whose potential energy, V0 (height ofthe barrier) is larger than the total energy of the electron, E.
O X
Fig 4.6: Finite potential barrier
V
V0I
II
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
23/93
Semi-conducting & Magnetic Materials
3.0 Finite Potential Barrier: Tunnel effect - continuedWe have 2 Schrdinger Equations for the 2 different areas:
(I) Region I: (x < 0) Electron is assumed to be free.
(II) Region II: (x > 0)
(4.27)0
222
2
=+
E
m
x
( ) 02 0222
=+
VEmx
(4.28)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
24/93
Semi-conducting & Magnetic Materials
3.0 Finite Potential Barrier: Tunnel effect - continuedThe solution to these 2 Schrdinger Equations are:
(I) Region I: (x < 0) Electron is assumed to be free.
Solution
where
(II) Region II: (x > 0)
(4.27)0222
2=+
Emx
( ) 02
022
2
=+
VE
m
x
(4.28)
xixi
I BeAe +=
2
2
mE=
(4.29)
(4.31)Solution
xixi
II DeCe +=
where( )
2 0
2
VEm =
(4.30)
(4.32)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
25/93
Semi-conducting & Magnetic Materials
3.0 Finite Potential Barrier: Tunnel effect - continuedNote of caution:
We stipulated that V0 > E
Therefore, (E-V0) is Negative and becomes imaginary.
To prevent this, we define a new parameter:
= i becomes (4.34)
(4.33)
(4.32)( )
202
EVm =
Rearranging (4.33): i=(4.35)
Inserting (4.35) into (4.31):xx
II DeCe
+= (4.36)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
26/93
Semi-conducting & Magnetic Materials
3.0 Finite Potential Barrier: Tunnel effect - continued
Using boundary conditions, we determine one of the constantsC or D.
For x , from we see that:
(4.37)
implies that and therefore could be infinity.
xx
II DeCe
+=
(4.36)
0.. DCII +=
(4.36)
11 1111 *(4.37)
The probability can never be >1 and thusis no solution. Therefore C has to go to zero.
1111 * 11
C 0 (4.38)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
27/93
Semi-conducting & Magnetic Materials
3.0 Finite Potential Barrier: Tunnel effect - continued
x
II
De
= (4.39)
and (4.36) becomes:
This means that the -function exponentially decreases in Region IIAs shown in fig (4.7)below:
The Electron Wave (x, t) is then given by (dashed curve above):
( )kxtix
eDe
=
.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
28/93
Semi-conducting & Magnetic Materials
3.0 Finite Potential Barrier: Tunnel effect - continued
Equation (4.39) provides the envelope for the electron wave thatpropagates in the finite potential barrier decreasing amplitude.
If the potential barrier is moderately high and sufficiently narrow,the electron wave can continue on the opposite side of the barrier.
This is called tunneling.
Analogous to: Light wave that penetrates to a certain degree into
a material with exponentially decreasing amplitude.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
29/93
Semi-conducting & Magnetic Materials
3.0 Finite Potential Barrier: Tunnel effectComplete solution of the behaviour of an electron wave thatpenetrates a finite potential barrier need extra boundary conditions:
O X
Fig 4.6 Finite potential barrier
V
V0
I II
(1)The functions and are continuous at x = 0.
Thus, at x = 0.
1 11
111
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
30/93
Semi-conducting & Magnetic Materials
3.0 Finite Potential Barrier: Tunnel effect - continued
xxixi DeBeAe =+
When x= 0, we have: A + B = D (4.40)
Combining (4.29), (4.36) and (4.38):
(2) The slopes of the wave functions in Regions I and II are
continuous at x = 0, i.e.,( ) ( )dxddxd // 111
Therefore,xxixi DeeBieAi
= (4.41)
When x = 0, we have: DBiAi = (4.42)
xx
II DeCe
+=(4.29) (4.38)(4.36) C 0
xixi
I BeAe
+=
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
31/93
Semi-conducting & Magnetic Materials
3.0 Finite Potential Barrier: Tunnel effect - continued
(4.43)
Inserting (4.42) into (4.40):
The -functions can be expressed in terms of the constant D
Figure 4.8 Square well with finite potential barriers
+=
i
D
A 12
=
i
D
B 12
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
32/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal (the Solid State)Atoms in a crystal are arrange periodically except for amorphous orglassy cases. We need to find the potential distribution and thebehaviour of an electron in a crystal.
0 X
Figure 4.9: One-dimensional periodic potential distribution.
V
V0
I IIIIII I
-b a
Potential Wells of length a Region I, separated byPotential barriers of widthb and height V0 Region II
V0 >> electron energy, E
b
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
33/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continuedModel is over simplified. Neglects:
Inner electrons are more strongly bound to the core.
Individual potential from each lattice site overlap.
Figure 4.10: One-dimensional periodic potential distribution for a real crystal.
Too complicated to use for a simple calculation !
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
34/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continuedThe Schrdinger Equations for Regions I and II are:
(I) Region I:
(II) Region II:
(4.44)02
22
2
=+
E
m
x
( ) 02
022
2
=+
VE
m
x (4.45)
(4.46)
Need to solve equations (4.44) & (4.45) simultaneously tough.
(4.47)
For abbreviation we write: Em22 2
=
and ( )EVm
= 022 2
ikxeukik
dx
du
dx
ud
x
+=
22
2
2
2
2
(4.49)Use later
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
35/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continued
Bloch showed that the solution has the form:
( ) ( ) ikxexux .= (4.48)
Bloch Function, where u(x) is a periodic function mimics thePeriodicity of the lattice in the x-direction. Therefore, u(x) is no
longer constant (e.g., amplitude A) but, changes periodically withincreasing x.
Also, u(x) is dependent on the various directions of the crystal lattice.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
36/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continued
Differentiating the Bloch function twice with respect to x gives:
ikxeukikdx
du
dx
ud
x
+=
22
2
2
2
2
Inserting (4.49) into (4.44) & (4.45) and using (4.46) & (4.47):
(4.49)
( ) 02 222
2
=+
uk
dx
duik
x
I (4.50)
( ) 02 222
2
=++
uk
dx
duik
x
II (4.51)
Equations (4.50) & (4.51) that of damped vibration.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
37/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continuedEquations (4.50) & (4.51) that of damped vibration & solution isa:
(4.55)
II (4.56)
xixiikx BeAeeu
+=I
( )xxikx DeCeeu +=
a Differential equation of a damped vibration for spatial periodicity:
02
2
=++
Cu
dx
duD
x
(4.52)
Solution is:xixixD BeAeeu
+=)2/(
where
4
2D
C=
(4.54)
(4.53)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
38/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continued
The four constants, A, B, C and D need to eliminate usingboundary conditions:
The functions and d/dx pass from Region I to II continuouslyat x=0. Here, Equation I = Equation II and thus:
A + B = C + D
Also, at x=0, du/dx for Equation I = du/dx for Equation II, thus:
A(i-ik) + B(-i-ik) = C(--ik) + D(-ik)
At the distance (a+b), the function and therefore u, is continuous.
(4.57)
(4.58)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
39/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continued
At the distance (a + b), the function and therefore u, is continuous.
Thus Equation I at x = 0 must equal Equation II at x = (a + b); or,Equation I at x = a must equal Equation II at x = - b (Fig 4.9).
(4.57)
(4.60)
( ) ( ) ( ) ( )bikbikaikiaiki
DeCeBeAe +
+=+
Finally, (du/dx) is periodic in a + b
( ) ( ) ( ) ( ) ( ) ( ) ( ) ( )bikbikkiakia eikDeikCekBiekAi ++ ++=+
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
40/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continued
The constants can be obtained by solving equations (4.57)through (4.60).
Inserting these constants into equations (4.55) and (4.56) provides u,which in turn gives solutions for the function not what we really want.
We are looking for a condition that tells us where solutions to theSchrdinger Equations (4.44) and (4.45) exist.
We use equations (4.57) through (4.60) and eliminate the fourconstants A-D and using Eulers equations, we finally have:
( ) ( ) ( ) ( ) ( )bakabab +=+
coscoscoshsin.sinh
2
22
(4.61)
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
41/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continued
For simplification, let us imagine that b is very small and V0is very large. Also, the product V0b (Potential BarrierStrength), i.e., area of potential barrier is finite. That is, if V
0grows, b diminishes.
If V0 is very large, then E in (4.7) can be considered small
compared to V0 and can be neglected so that:
( ) ( ) ( ) ( ) ( )bakabab +=+
coscoscoshsin.sinh2
22
(4.61)
02
2V
m
=
(4.62)
S i d ti & M ti M t i l
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
42/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continued
Multiplying both sides by b gives:
( )bVbmb 022
=(4.63)
Since V0b is finite and b0, we have b becoming very small.
For small b, cosh(b) 1 and sinh(b) b
Neglecting 2 compared to 2 and b compared to a(equations 4.46, 4.47 & 4.49), equation (4.61) becomes:
(4.64)
kaaabVm
coscossin02
=+
(4.65)
S i d ti & M ti M t i l
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
43/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continued
(4.65)kaaabVm
coscossin02 =+
Substituting2
0
bmaVP=
(4.67)
(4.66)
We finally get:kaaa
a
P coscos
sin=+
This is the desired solution to the Schrdinger equations:
Only certain values of are possible and thus, only certain values of
energy E are possible.
02 22
2
=+ Emx
(4.45)(4.44) ( ) 02 0222
=+ VEmx
S i d ti & M ti M t i l
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
44/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continuedPlotting the function [P(sin a/ a)+cos a] versus a for P=(3/2)we get the following:
Figure 4.11: Function [P(sin a/ a)+cos a] versus a for P =(3/2)RHS of (4.67) allows only certain values of this function because cos kais only defined between +1 and -1. Allowed values of the function
[P(sin a/ a)+cos a] are marked by heavy lines on the a axis.
S i d ti & M ti M t i l
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
45/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continuedBecause a is a function of the energy, we see that an electronthat moves in a periodically varying potential field can onlyoccupy certain allowed energy zones. Energies outside of thesezones or bands are not allowed. With increasing values ofa(i.e. with increasing energy), the forbidden bands becomenarrower.
The size of the allowed & forbidden bands varies with P.
We have 4 special cases:
(a) If the potential barrier strength V0b is large, then accordingto (4.66), P is also large & the curve in figure 4.11 becomes steep the allowed bands are narrow.
Semi conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
46/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continued(b) If the potential barrier strength V0b is small, then accordingto (4.66), P is also small & the allowed bands are wider.
Figure 4.12: Function [P(sin a/ a)+cos a] versus a for P = /10
Semi conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
47/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continued
(c) If the potential barrier strength V0b becomes smaller &
smaller, then P 0, then from (4.67),cos a = cos ka
Or, = k. Combining this with equation (4.46) we have
(4.68)
m
kE
2
22
=
This is the well-known equation (4.8) for free electrons
Semi conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
48/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continued
(d) If the potential barrier strength V0b is very large, then
P , however the LHS of (4.67) has to stay with the limits 1,
Combining (4.46) & (4.69) gives:
0sin
a
a
i.e., sin a 0. This is only possible ifa = n or,
2
222
a
n = for n = 1, 2, 3. (4.69)
2
2
22
2
n
ma
E
=
Semi conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
49/93
Semi-conducting & Magnetic Materials
4.0 Electron in a Periodic Field of a Crystal - continuedTo summarize:If the electrons are strongly bound, i.e. potential barrier is verylarge, one obtains sharp energy levels.If the electrons are not bound, one obtains a continuous energyregion (free electrons).If the electron moves in a periodic potential field, one receives
energy bands (solid).
Figure 4.13: Allowed energy levels for (a) bound electrons
(b) free electrons and (c) electrons in a solid.
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
50/93
Semi-conducting & Magnetic Materials
The energy levels get wide and
become energy bands transitioninto quasi-continuous energyregions.
Occurs due to interactions of atomsas their separation distancedecreases.
Figure 4.13: Allowed energy levels for (a) bound electrons(b) free electrons and (c) electrons in a solid.
4.0 Electron in a Periodic Field of a Crystal - continued
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
51/93
Semi-conducting & Magnetic Materials
Energy Bands in Crystals
In equation (4.8) we saw that:
22
2
k
m
E
=
In the case of free electrons, it is simple:
2/1
.Econstkx =
We plot the energy versus momentum (or wave vector k)of the electrons.
Fig 5.1: Electron energy versus wave vector k for free electrons- parabola.
(5.1)
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
52/93
Semi conducting & Magnetic Materials
kaaa
aP coscos
sin=+
Equation (4.67) was:
When P=0, we found in equation (4.68) that cos a = cos ka
Now, since the cosine function is periodic in 2,
equation (4.68) can be written in general form:
cos a = cos kxa = cos (kxa + n2) (5.2)
Where, n = 0, 1, 2, , therefore:
a = kxa + n2 (5.3)
Energy Bands in Crystalscontd.
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
53/93
Semi conducting & Magnetic Materials
We saw in equation (4.7) that: 22
mE=
Putting this value of in (5.3):
2/1
2
22
E
m
ankx =+
(5.4)
In equation (5.4) we see that the parabola of Fig 5.1 is repeatedin intervals of n . 2/a as shown below:
Fig 5.2: Family of free electronparabolas with periodicity of 2/a
Energy Bands in Crystalscontd.
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
54/93
Semi conducting & Magnetic Materials
Energy Bands in Crystalscontd.We have seen that when an electron propagates in a periodic potentialwe always observe discontinuities of the energies when coskxa has amaximum or a minimum, i.e. when coskxa = 1
This happens when, kxa = n., n = 1, 2, (5.5)
Or,
a
nkx
.=(5.6)
At these points, a deviation from the parabolic E vs kx curveoccurs & the branches of the individual parabolas merge intothe neighboring ones.
Leads to an important point:
The electrons in a crystal, behave, for most kx values, like free electrons,except when k
x n. / a
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
55/93
Semi conducting & Magnetic Materials
Energy Bands in Crystalscontd.
Fig 5.2: Family of free electron
parabolas with periodicity of 2/a
Fig 5.3: Periodic zone scheme.
Allowed bands
Band gap
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
56/93
Semi conducting & Magnetic MaterialsEnergy Bands in Crystalscontd.
Besides the periodic zone scheme, there a re 2 others.
One is the reduced zone scheme, which is common
it is the section of Fig 5.3, between the limits / a
Fig 5.4: Reduced zone scheme. Fig 5.5: Extended zone scheme.
Allowed bands
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
57/93
g gEnergy Bands in Crystalscontd.
Important question:
What do the E versus |k| curves mean?
They relate the energy of an electron with its k-vector, i.e. its momentum
Note Allowed Bands (Valence & Conduction bands) & Band Gaps.
The wave vectorkis inversely proportional to the wavelength
of the electrons.
Thus, khas the units of reciprocal length.
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
58/93
g gEnergy Bands in Crystalscontd.
Brillouin Zones
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
59/93
g gEnergy Bands in Crystalscontd.
As you move them closer, they start to pile up on each other-height increases.
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
60/93
g gEnergy Bands in Crystalscontd.
Electrical conductivity of a material represents how easily chargeswill flow through the material.Materials with high conductivity are called conductors.Materials that do not readily conduct electricity are called insulators.
Semiconductors form a third category of material with conductivities
somewhere between conductors and insulators, but that is not exactlythe case. Semiconductors, despite the name, form a subgroup ofinsulators and have properties that differ greatly from the propertiesof conductors.
Pure crystalline silicon, in fact, is a rather poor conductor.
To understand how the term semiconductor arose, we return to theconcepts of electron states and energy bands.
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
61/93
Energy Bands in Crystalscontd.Electric current is generally due to the motion of valence electrons.An electron can move through a material only by moving from oneallowed energy state to another. But most materials are formed by
bonds that completely fill a valence band, as shown below.Electrons in this filled valence band have no empty states to moveinto, unless they somehow gain enough energy to jump across theforbidden band gap into the empty conduction band above.
Conduction is therefore very difficult. As you might imagine,this energy band diagram represents an insulator.
Conduction Band
Band Gap
Valence Band
Electrons in an insulator fill all
available states in the valence
band. Electrons must jump tothe next higher band before they
can move freely. This band
where electron motion occurs is
called the "conduction band"
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
62/93
Energy Bands in Crystalscontd.
Metals, insulators and semiconductors
Once we know the band structure of a given material we still need to
find out which energy levels are actually occupied and whetherspecific bands are empty, partially filled or completely filled.
Empty bands do not contain electrons and therefore are not expectedto contribute to the electrical conductivity of the material.
Partially filled bands do contain electrons as well as unoccupied
energy levels which have a slightly higher energy. These unoccupiedenergy levels enable carriers to gain energy when moving in anapplied electric field. Electrons in a partially filled band therefore docontribute to the electrical conductivity of the material.
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
63/93
Energy Bands in Crystalscontd.
Metals, insulators and semiconductors
Completely filled bands do contain plenty of electrons but do not
contribute to the conductivity of the material. This is due to the factthat the electrons can not gain energy since all energy levels arealready filled.
In order to find the filled and empty bands we must find out howmany electrons can be fit in one band and how many electrons areavailable: Since one band is due to one ore more atomic energy levels
we can conclude that the minimum number of states in a band equalstwice the number of atoms in the material. The reason for the factorof two is that even a single energy level can contain two electronswith opposite spin.
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
64/93
Energy Bands in Crystalscontd.
Metals, insulators and semiconductors
To further simplify the analysis we assume that only the valence
electrons (the electrons in the outer shell) are of interest, while thecore electrons are assumed to be tightly bound to the atom and arenot allowed to wander around in the material.Four different possible scenarios are shown in the figure below:
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
65/93
Energy Bands in Crystalscontd.
Metals, insulators and semiconductors
(a)
Half filled bandOne valence electron
High conductivity
(b)
Filled band overlappingEmpty band.
Two valence electron
Good conductivity
(d)
Full band separatesEmpty band.
No conductivity
Insulator
(c)
Almost full band
separates
Almost Empty
band.
Semiconductor
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
66/93
Energy Bands in Crystalscontd.Energy bands of semiconductors
Ev is valence band edge,Ec is the conduction band edge.Evacuum is the energy of the free electron =q.
q is the electronic charge
is the electron affinity
Semi-conducting & Magnetic Materialsd i C l d
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
67/93
Energy Bands in Crystalscontd.
Shown is theE-kdiagram for Silicon within the firstBrillouin zone and along the (100) direction. Theenergy is chosen to be to zero at the edge of the
valence band.
Conduction Band
Valence Band
3.2 eV
1.12 eV
Semi-conducting & Magnetic MaterialsE B d i C l d
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
68/93
Energy Bands in Crystalscontd.
Effect of Temperature on Semiconductors
At absolute Zero:
All electrons are tightly held.Inner orbit electrons are bound.Valence electrons covalent bonds strong no free electrons.
Behaves like insulators.
Above absolute Zero:
Covalent bonds break free electrons semiconductor if potential applied.
Generation of holes missing electrons.
Semi-conducting & Magnetic MaterialsE B d i C t l td
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
69/93
Energy Bands in Crystalscontd.
Intrinsic Semiconductors
Above absolute Zero: Generation of electron-hole pairs.
Extrinsic Semiconductors
Doping with impurities!
N-type and p-type
One impurity atomper 108 atoms of semiconductor
N-type
Si add Group V - electrons
P-type
Si add Group III deficit of electrons or holes
Majority and minority carriers Charge neutrality
Semi-conducting & Magnetic MaterialsE B d i C t l td
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
70/93
Energy Bands in Crystalscontd.
Fermi Energy-defined as the highest energy the electrons attain at T=0 K.
Probability that a certain energy level is occupied by electronsis given by the Fermi Function, f(E):
TkEE BfeEf /)(
11)(
+=
If an energy level is completely occupied by electrons, f(E)=1For an empty energy level f(E)=0When E=Ef, exponential is always 1 and f(E)=1/2Fermi Energy is that energy for which f(Ef)=1/2
Semi-conducting & Magnetic MaterialsDirect & Indirect semiconductors.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
71/93
Minimum energy of the conduction band in Indirect semiconductors is at a different
momentum than that of the maximum energy of the valence band.
Electrons in the conduction band rapidly relax to the minimum band energy andlikewise, holes rapidly rise to the maximum energy of the valence band.
Therefore, electrons and holes do not have the same momentum in an indirect one.
In direct semiconductors these momenta are equal.
Semi-conducting & Magnetic MaterialsDirect & Indirect semiconductors
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
72/93
Direct & Indirect semiconductors.
Indirect semiconductors three-body interaction.
Such interaction is 1000 times less likely than simple electron-photon interactions.
Electrons & holes of different momenta do not recombine rapidly (of the order ofmicro-seconds) while in direct semiconductors it is nano-seconds.
Important effect for light-emitting devices direct semiconductors
Phonons = Heat
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
73/93
Energy Bands in Crystalscontd impurity ionization levels.
Conduction Band
Valence Band
Donor Level
Acceptor Level
~0.01eV
EgEf
Impurity ionization levels
Distance between the Donor
level & Conduction band =
energy needed to transfer the
extra electrons.
Distance between the Acceptor
level & Valence band =
(implied) energy needed to
transfer the extra holes.
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
74/93
Zinc-blende Crystal structure
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
75/93
Energy Bands in Crystalscontd impurity ionization levels.
~0.01eV
Semi-conducting & Magnetic MaterialsEnergy Bands in Crystalscontd.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
76/93
Energy Bands in Crystalscontd.
Lattice constant ()
Semi-conducting & Magnetic MaterialsEnergy Bands in Crystalscontd.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
77/93
Energy Bands in Crystalscontd.
Semi-conducting & Magnetic MaterialsEnergy Bands in Crystalscontd.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
78/93
gy y
Table 1. Chemical Composition of Commercial LEDs.
Color Wavelength (nm) Composition
Blue 470 In0.06Ga0.94N
Green 556 GaPYellow 578 GaP0.85As0.15Orange 635 GaP0.65As0.35Red 660 GaP0.40As0.60
or Al0.25Ga0.75AsInfrared >700 GaAs
Semi-conducting & Magnetic MaterialsEnergy Bands in Crystalscontd.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
79/93
gy y
pn junction
Depletion layer electron and
hole combination nearjunction. depletion of charge carriers. acts as a barrier for further
movement of free electrons. Potential difference acrossthe depletion layer called Barrier Potential (V
0
). depends on type of sc,amount of doping, temperatureSi: 0.7V, Ge: 0.3V
Potential distribution curve
Semi-conducting & Magnetic MaterialsBiasing a pn junction
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
80/93
p n
No External
Field
External
Field
+ - - +External
FieldNo External
Field
np
Forward Bias Reverse Bias
Applied potential against barrier
Potential barrier is reduced eliminated
Junction offers low resistance
Current flows magnitude depends on voltage
Potential barrier is increased
Junction offers high resistance
- (reverse resistance, Rr)
No Current flow
g p j
Semi-conducting & Magnetic Materials
Current flow in a Forward Biased pn junction
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
81/93
Current flow in a Forward Biased pn junction
Forward Bias - Negative terminal of battery is connected to n-type repels the free electrons in n-type to the junction-leaving behind positively charged atoms-More electrons arrive from the -ve battery terminal & enter the n-region.
-As the free electrons reach the junction, they become-valence electrons. how & why? (Hole is in the covalent bond free electron combines with a hole, it becomes a valence electron)
Semi-conducting & Magnetic Materials
Current flow in a Forward Biased pn junction
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
82/93
p j
-As valence electrons they moves through the holes in the p-region.-Effectively, they move to the left in the p-region same as holes moving
to the right.-Valence electrons move to the extreme left of the crystal
-flow into the +ve terminal of the battery.-Therefore, in n-type region, current is carried by free electrons-In p-type region, current is carried by holes.-In the external connecting wires, current is carried by free electrons
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
83/93
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
84/93
(1)Zero external voltage.Circuit is open at KPotential barrier prevents current flow.Circuit current is zero, shown by point O.
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
85/93
(2)Forward Bias
N-type to ve terminal, p-type to +ve terminalPotential barrier -reduced - then eliminated (0.7 V for Si, 0.3 V for Ge)- current starts flowing.As voltage is increased, current initially increases slowly (overcome
potential barrier) and then rapidly.
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
86/93
(3)Reverse Bias
P-type to ve terminal, n-type to +ve terminalPotential barrier at junction -increased- Junction resistance becomes very high practically no current flows.However, in practice, a very small current flows called reverse
saturation (why?) current (Is) due to minority carriers.
Semi-conducting & Magnetic Materials
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
87/93
(3)Reverse BiasMinority carriers few free electrons in p-type & few holes in n-type.
Applied reverse voltage appears to the minority carriers as forward bias!As reverse voltage is increased, the KE of electrons (minority carriers) high knock out electrons from semiconductor atoms Breakdownoccurs.
Semi-conducting & Magnetic MaterialsBreakdown Voltage.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
88/93
Minimum reverse voltage at which pn junction breaks downwith sudden rise in reverse current
Electron-hole pairs in depletion layer minority carriers.
Reverse bias electrons move towards +ve terminal.At large reverse voltage, these electrons have high enough velocity todislodge valence electrons from semiconductor atoms
Avalanche effect
Semi-conducting & Magnetic MaterialsKnee Voltage.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
89/93
Forward voltage at which current through the junction increases rapidly
Forward bias overcome potential barrier.
To get useful current through a pn junction,the applied Voltage > Knee Voltage.
Semi-conducting & Magnetic Materials
Zener Diode.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
90/93
Breakdown Voltage = Zener Voltage
Sudden increase in current is called zener current.
Breakdown Voltage depends on the amount of doping.
Why?
If pn-junction is heavily doped, the depletion layer will be thin.
Lightly doped pn-junction will have higher breakdown voltage.
With proper doping, a pn-junction diode with a sharp breakdown voltageis called a zener diode.
A zener diode is always reverse biased.
Semi-conducting & Magnetic Materialspn junction
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
91/93
Limitation in operating conditions of pn junction
Maximum forward current
exceeding this can destroy due to overheating.
Peak Inverse Voltage (PIV) maximum reverse voltagewithout damaging the pn junction important for rectifier circuit.
Maximum power rating.
A pn junction is known as a Semiconductor or Crystal Diode.
Semi-conducting & Magnetic Materials
A pn junction is a Semiconductor Diode.
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
92/93
Alternating Current to Direct Current.
Maximum forward current exceeding this can destroy due to overheating.Peak Inverse Voltage (PIV) maximum reverse voltage
during ve half cycle important for rectifier circuit.Reverse current or Leakage current current flow during reverse bias due to minority carriers
Semi-conducting & Magnetic Materials
Light Emitting Diodes forward biasing of pn-junctionInteraction of Photons with Matter or semiconductors
-
8/2/2019 Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012
93/93
Interaction of Photons with Matter, or semiconductors
Absorption of light Emission of light
Electrons from n-type crosspnjunction recombine with holes in p-type.Free electrons in conduction band higher energy than holes in valence bandRecombining electrons release energy in the form of heat & light.With GaAs intense light.