Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012

Semi-conducting & Magnetic Materials
MT41016
Prof S. B. Sant Department of Metallurgical & Materials Engineering IIT Kharagpur Week 2
Semi-conducting & Magnetic Materials Schrdinger Equation: Time-Independent (Stationary conditions) & Time-Dependent (wave equation)
Semi-conducting & Magnetic Materials Schrdinger Equation:

Time-Independent (Stationary conditions) Potential Energy (or potential barrier) depends only on the location. Equation of vibration. 2m 2 (3.1) + 2 (E V ) = 0 Where,
2 2 2 = 2 + 2 + 2 x y z
(3.2)
m is the rest mass of an electron (also called mo) And the total energy of the system is given by, E = Ekin + V
(3.3)
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 :
(3.4)
= i e it = i t
i.e., (2.1) & (3.6) gives: i.e.,

2
(3.5) (3.6)
i = t
E= i t
(3.7)
2mV
2
2mi =0 t
(3.8)

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 or eigenvalue 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 & satisfy the boundary conditions are called Eigenfunctions of the differential equation. We saw that . * is the probability of finding a particle at a certain location. Likewise, the probability of finding a particle somewhere in space is one or
. * =
= 1

Solutions to the Schrdinger Equation:
Four specific problems 1.0 Free Electrons: Electrons that propagate freely potential-free space in +ve xdirection 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.

Solutions to the Schrdinger Equation:
Four specific problems 1.0 Free Electrons: Electrons that propagate freely potentialfree space in +ve x-direction No potential barrier (V). 2m From equation (3.1), 2 (3.1) + 2 (E V ) = 0
2 2m + 2 E = 0 (4.1) 2 x Differential equation for an undamped vibration with spatial periodicity whose solution is:
Or,
(x ) = Ae
Where
i x
(4.2)
2mE
2
(4.3)

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),
2
( x) = Ae .e
E=
i x
i t
(4.5)
2m
(4.6)
For free-flying electron, there is no boundary condition all values of energy are allowed we have energy continuum

1.0 Free Electrons: continued
p2 Ek = 2m
(1.4)
p =
2
(2.3)
2mE
2
(4.3)
E=
2m
(4.6)
=
This yields:
2mE
2
=
2
=
2
=k
(4.7)
E=
2m
(4.8)

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 of electrons.
kp
Since momentum & velocity are vectors, k is a vector too. The vector k with components kx, ky and kz is:
k =
(4.9)
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/.
Semi-conducting & Magnetic Materials Solutions to the Schrdinger Equation:

2.0 Bound Electrons: In a potential Well.
Electrons bound to its atomic nucleus.
V
nucleus
Figure 4.2: One-dimensional potential well. Walls are infinitely high potential barriers.
Electrons move freely between 2 infinitely high potential barriers that do not allow the electrons to escape.
= 0 at x 0 and x a

2.0 Bound Electrons: In a potential Well. continued We can begin with the one-dimensional case, but, as the electrons are reflected by the walls, we will have propagation in the +ve and ve x-direction. The Potential Energy inside the well is zero, hence,
2 2m + 2 E = 0 2 x
(4.10)
Due to the 2 propagating directions, the solution to (4.10) is:
= Ae
Where,
i x
+ Be
i x
(4.11)
2mE
2
(4.12)

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 a This is similar to that of a vibrating string where there is no vibration at the clamped ends. (4.13) Thus, from (4.11), using = 0 at x 0; B = - A Using = 0 at x a, and (4.13), we have
= 0 = Ae
i a
+ Be
ia
= Ae
i a
i a
(4.14)

2.0 Bound Electrons: In a potential Well. continued Using the Euler equation
1 i e e i sin = 2i We rewrite equation (4.14) as:
(4.15)
Ae
i a
i a
] = 2 Ai.sin a = 0
(4.16)
Equation (4.16) is only valid if sin a = 0, i.e., if a = n, where, n = 0, 1, 2, 3 Substituting from (4.12) into (4.17) gives:
2 2
(4.17)
En =
2m
=
2
2ma 2
where, n = 0, 1, 2, 3
(4.18)

2.0 Bound Electrons: In a potential Well. continued Because of the boundary conditions, only certain solutions of the Schrdinger Equation exist where n is an integer. The energy assumes only those values determined by (4.18) called Energy Levels. Therefore, when electrons are excited or absorbed, they posses discrete values called energy quantization and the lowest energy is called zero-point energy when n=1. This is not the at the bottom of the well, rather, somewhat higher than the bottom.

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 obtain within the well: = 2Ai.sin x (4.19) And the complex conjugate of * = -2Ai.sin x The product * = 4A2.sin2 x
(4.20) (4.21)

2.0 Bound Electrons: In a potential Well. continued i.e., 2r = n or
r=
n 2
Therefore only distinct orbits are allowed, viz-a-viz allowed energy levels 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:
e2 V= 4 o r

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 the walls of the potential well. The integer multiples of half a wavelength are equal to the length, a, of the potential well. The probability of finding the electron at a certain place within the well, * 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.

2.0 Bound Electrons: In a potential Well. continued We know that the electrons move in distinct orbits around a positively charged nucleus. As in figure (4.4)a, the electron waves associated with an orbiting electron 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 by destructive 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 be an integral multiple, n, of the wavelength .

2.0 Bound Electrons: In a potential Well. continued Solving this we obtain Discrete Energy Levels:
me 4 E= 2(4 0
1 1 = 13.6 2 (eV ) 2 n n
(4.18a) Energy diagrams Common in Spectroscopy n= n=3 n=2 Ionization Energies Counted Negative Origin - arbitrary
Energy is -1/n2 (and not n2) E Crowding of energy levels at higher energies o
Energy at lowest level that needed to remove an electron from its nucleus
-13.6 eV (ionization energy)
n=1

2.0 Bound Electrons: In a potential Well. continued For a 3-Dimensional Well:
2
En =
2
2
2ma
(n
2 x
+ n y + nz
(4.26) where, n = 0, 1, 2, 3
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

3.0 Finite Potential Barrier: Tunnel effect Assume that a free electron, propagating in the +ve x-direction, encounter a potential barrier whose potential energy, V0 (height of the barrier) is larger than the total energy of the electron, E.
V
V0
II
Fig 4.6: Finite potential barrier

3.0 Finite Potential Barrier: Tunnel effect - continued We have 2 Schrdinger Equations for the 2 different areas: (I) Region I: (x < 0) Electron is assumed to be free.
2 2m + 2 E = 0 2 x
(II) Region II: (x > 0)
(4.27)
2 2m + 2 (E V0 ) = 0 2 x
(4.28)

3.0 Finite Potential Barrier: Tunnel effect - continued The solution to these 2 Schrdinger Equations are: (I) Region I: (x < 0) Electron is assumed to be free.
Solution where
I = Ae
=
2mE
2
2 2m + 2 E = 0 2 x
i x
(4.27) (4.29)
+ Be
i x
(4.30)
(II) Region II: (x > 0) Solution where =
2 2m + 2 (E V0 ) = 0 2 x
i x i x
(4.28) (4.31) (4.32)
II = Ce + De 2m(E V0 )
2

3.0 Finite Potential Barrier: Tunnel effect - continued Note of caution: We stipulated that V0 > E Therefore, (E-V0) is Negative and becomes imaginary. To prevent this, we define a new parameter: (4.33) =i 2m(V0 E ) (4.32) becomes (4.34) = 2 Rearranging (4.33): Inserting (4.35) into (4.31):
i
x
x
(4.35)
II = Ce + De
(4.36)

3.0 Finite Potential Barrier: Tunnel effect - continued
II = Ce + De
(4.36)
Using boundary conditions, we determine one of the constants C or D. For x , from

(4.36)
we see that:
(4.37)
II = C. + D.0
(4.37)
11 and therefore 11 *11 could be infinity. The probability 11 *11 can never be >1 and thus 11
implies that is no solution. Therefore C has to go to zero. C0
(4.38)

3.0 Finite Potential Barrier: Tunnel effect - continued and (4.36) becomes:
II = De
(4.39)
This means that the -function exponentially decreases in Region II As shown in fig (4.7) below:
The Electron Wave (x, t) is then given by (dashed curve above):
= De .e
i (t kx )

3.0 Finite Potential Barrier: Tunnel effect - continued Equation (4.39) provides the envelope for the electron wave that propagates 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.

3.0 Finite Potential Barrier: Tunnel effect Complete solution of the behaviour of an electron wave that penetrates a finite potential barrier need extra boundary conditions:
V
I V0 O
II X
Fig 4.6 Finite potential barrier
(1)The functions Thus,
1 and 11 are continuous at x = 0.
1 11 at x = 0.

3.0 Finite Potential Barrier: Tunnel effect - continued Combining (4.29), (4.36) and (4.38):
Ae
i x
+ Be
i x
= De x
(4.40)
When x= 0, we have: A + B = D
(2) The slopes of the wave functions in Regions I and II are continuous at x = 0, i.e.,
(d 1 / dx ) (d 11 / dx )
i x
Therefore,
Aie
Bie
ix
= De x
(4.41) (4.42)
When x = 0, we have:
Ai Bi = D
x
x
I = Ae
i x
+ Be
i x
(4.29)
II = Ce + De
(4.36)
C0
(4.38)

3.0 Finite Potential Barrier: Tunnel effect - continued Inserting (4.42) into (4.40):
D A = 1 + i 2
D B = 1 i 2
(4.43)
The -functions can be expressed in terms of the constant D
Figure 4.8 Square well with finite potential barriers

4.0 Electron in a Periodic Field of a Crystal (the Solid State) Atoms in a crystal are arrange periodically except for amorphous or glassy cases. We need to find the potential distribution and the behaviour of an electron in a crystal.
V V0 II I II I II
V0 >> electron energy, E
-b 0
Figure 4.9: One-dimensional periodic potential distribution.
Potential Wells of length a Region I, separated by Potential barriers of width b and height V0 Region II

4.0 Electron in a Periodic Field of a Crystal - continued Model 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 !

4.0 Electron in a Periodic Field of a Crystal - continued The Schrdinger Equations for Regions I and II are: 2 2m (I) Region I: (4.44) + 2 E = 0 2 x
2 2m + 2 (E V0 ) = 0 (II) Region II: 2 x 2m 2 = 2 E For abbreviation we write: 2m and 2 = 2 (V0 E )
(4.45) (4.46) (4.47)
Need to solve equations (4.44) & (4.45) simultaneously tough. Use later
2 d 2u du 2 ikx = 2 + 2ik k u e 2 dx x dx
(4.49)

4.0 Electron in a Periodic Field of a Crystal - continued Bloch showed that the solution has the form:
(x ) = u (x ).eikx
(4.48)
Bloch Function, where u(x) is a periodic function mimics the Periodicity of the lattice in the x-direction. Therefore, u(x) is no longer constant (e.g., amplitude A) but, changes periodically with increasing x. Also, u(x) is dependent on the various directions of the crystal lattice.

4.0 Electron in a Periodic Field of a Crystal - continued Differentiating the Bloch function twice with respect to x gives:
2 d 2u du 2 ikx = 2 + 2ik k u e 2 dx x dx
(4.49)
Inserting (4.49) into (4.44) & (4.45) and using (4.46) & (4.47): I II
2 du + 2ik k 2 2 u = 0 x 2 dx
( (
(4.50)
Equations (4.50) & (4.51) that of damped vibration.
2 du + 2ik k2 + 2 u = 0 x 2 dx
(4.51)

4.0 Electron in a Periodic Field of a Crystal - continued Equations (4.50) & (4.51) that of damped vibration & solution isa: I II
a Differential
u=e
ikx
(Ae
i x
+ Be
i x
u=e
ikx
(Ce
+ De
(4.55)
(4.56)
equation of a damped vibration for spatial periodicity:
2 du +D + Cu = 0 2 x dx
Solution is:
(4.52)
ix
u=e
( D / 2) x
(Ae
ix
+ Be
(4.53)
where
D2 = C 4
(4.54)

4.0 Electron in a Periodic Field of a Crystal - continued The four constants, A, B, C and D need to eliminate using boundary conditions: The functions and d/dx pass from Region I to II continuously at x=0. Here, Equation I = Equation II and thus: A+B=C+D
(4.57)
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)
(4.58)
At the distance (a+b), the function and therefore u, is continuous.

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).
Ae (i ik )a + Be ( i ik )a = Ce (ik + )b + De (ik )b
Finally, (du/dx) is periodic in a + b
(4.57)
Ai( k )eia ( k ) Bi( + k )e ia ( + k ) = C ( + ik )e (ik + )b + D( ik )e (ik )b

(4.60)

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 the Schrdinger Equations (4.44) and (4.45) exist. We use equations (4.57) through (4.60) and eliminate the four constants A-D and using Eulers equations, we finally have:
2 2 sinh (b ). sin (a ) + cosh (b ) cos(a ) = cos k (a + b ) 2
(4.61)

4.0 Electron in a Periodic Field of a Crystal - continued
2 2 sinh (b ). sin (a ) + cosh (b ) cos(a ) = cos k (a + b ) 2

For simplification, let us imagine that b is very small and V0 is very large. Also, the product V0b (Potential Barrier Strength), i.e., area of potential barrier is finite. That is, if V0 grows, 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:
(4.61)
2m
2
V0
(4.62)

4.0 Electron in a Periodic Field of a Crystal - continued Multiplying both sides by b gives:
b =
2m
2
b(V0b )
(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)
V0b sin a + cos a = cos ka
(4.65)

4.0 Electron in a Periodic Field of a Crystal - continued
V b sin a + cos a = cos ka 2 0

P= maV0b
2
(4.65)
Substituting We finally get:
(4.66)
sin a P + cos a = cos ka a

2 2m + 2 (E V0 ) = 0 2 x
(4.67)
This is the desired solution to the Schrdinger equations:
2 2m + 2 E = 0 2 x
(4.44)
(4.45)
Only certain values of are possible and thus, only certain values of energy E are possible.

4.0 Electron in a Periodic Field of a Crystal - continued Plotting 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 ka is 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.

4.0 Electron in a Periodic Field of a Crystal - continued Because a is a function of the energy, we see that an electron that moves in a periodically varying potential field can only occupy certain allowed energy zones. Energies outside of these zones or bands are not allowed. With increasing values of a (i.e. with increasing energy), the forbidden bands become narrower. 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 according to (4.66), P is also large & the curve in figure 4.11 becomes steep the allowed bands are narrow.

4.0 Electron in a Periodic Field of a Crystal - continued (b) If the potential barrier strength V0b is small, then according to (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

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), (4.68) cos a = cos ka Or, = k. Combining this with equation (4.46) we have
k E= 2m
This is the well-known equation (4.8) for free electrons

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,
sin a 0 a
i.e., sin a 0. This is only possible if a = n or,
n 2 2 2 = 2 a
E=
for n = 1, 2, 3.
(4.69)
Combining (4.46) & (4.69) gives:
2ma 2
n2

4.0 Electron in a Periodic Field of a Crystal - continued To summarize: If the electrons are strongly bound, i.e. potential barrier is very large, one obtains sharp energy levels. If the electrons are not bound, one obtains a continuous energy region (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.

4.0 Electron in a Periodic Field of a Crystal - continued The energy levels get wide and become energy bands transition into quasi-continuous energy regions. Occurs due to interactions of atoms as their separation distance decreases.
Figure 4.13: Allowed energy levels for (a) bound electrons (b) free electrons and (c) electrons in a solid.

Energy Bands in Crystals We plot the energy versus momentum (or wave vector k) of the electrons. In equation (4.8) we saw that:
2
E=
2m
k2
In the case of free electrons, it is simple:
k x = const.E 1/ 2
(5.1)
Fig 5.1: Electron energy versus wave vector k for free electrons - parabola.

Energy Bands in Crystalscontd. Equation (4.67) was:
sin a P + cos a = cos ka a
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) Where, n = 0, 1, 2, , therefore: a = kxa + n2
(5.3)
(5.2)

Energy Bands in Crystalscontd. 2mE = We saw in equation (4.7) that: 2
2 2m 1 / 2 Putting this value of in (5.3): k x + n E = 2 a
(5.4)
In equation (5.4) we see that the parabola of Fig 5.1 is repeated in intervals of n . 2/a as shown below:
Fig 5.2: Family of free electron parabolas with periodicity of 2/a

Energy Bands in Crystalscontd. We have seen that when an electron propagates in a periodic potential we always observe discontinuities of the energies when coskxa has a maximum or a minimum, i.e. when coskxa = 1 This happens when, kxa = n., n = 1, 2, Or,
(5.5) (5.6)
k x = n.
At these points, a deviation from the parabolic E vs kx curve occurs & the branches of the individual parabolas merge into the neighboring ones. Leads to an important point: The electrons in a crystal, behave, for most kx values, like free electrons, except when kx n. / a

Energy Bands in Crystalscontd. Fig 5.2: Family of free electron parabolas with periodicity of 2/a
Allowed bands
Fig 5.3: Periodic zone scheme.
Band gap

Energy 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
Allowed bands
Fig 5.4: Reduced zone scheme.
Fig 5.5: Extended zone scheme.

Energy 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 vector k is inversely proportional to the wavelength of the electrons. Thus, k has the units of reciprocal length.

Energy Bands in Crystalscontd. Brillouin Zones

Energy Bands in Crystalscontd.
As you move them closer, they start to pile up on each other -height increases.

Energy Bands in Crystalscontd. Electrical conductivity of a material represents how easily charges will 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 exactly the case. Semiconductors, despite the name, form a subgroup of insulators and have properties that differ greatly from the properties of conductors. Pure crystalline silicon, in fact, is a rather poor conductor. To understand how the term semiconductor arose, we return to the concepts of electron states and energy bands.

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 one allowed 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 move into, unless they somehow gain enough energy to jump across the forbidden 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 Electrons in an insulator fill all available states in the valence band. Electrons must jump to the next higher band before they can move freely. This band where electron motion occurs is called the "conduction band"
Valence Band

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 whether specific bands are empty, partially filled or completely filled. Empty bands do not contain electrons and therefore are not expected to 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 unoccupied energy levels enable carriers to gain energy when moving in an applied electric field. Electrons in a partially filled band therefore do contribute to the electrical conductivity of the material.

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 fact that the electrons can not gain energy since all energy levels are already filled. In order to find the filled and empty bands we must find out how many electrons can be fit in one band and how many electrons are available: Since one band is due to one ore more atomic energy levels we can conclude that the minimum number of states in a band equals twice the number of atoms in the material. The reason for the factor of two is that even a single energy level can contain two electrons with opposite spin.

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 the core electrons are assumed to be tightly bound to the atom and are not allowed to wander around in the material. Four different possible scenarios are shown in the figure below:

Energy Bands in Crystalscontd. Metals, insulators and semiconductors
(a) (b) Filled band overlapping Half filled band Empty band. One valence electron High conductivity Two valence electron Good conductivity
(d) (c) Almost full band Full band separates Empty band. separates No conductivity Almost Empty Insulator band. Semiconductor

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

Conduction Band
3.2 eV 1.12 eV Valence Band
Shown is the E-k diagram for Silicon within the first Brillouin zone and along the (100) direction. The energy is chosen to be to zero at the edge of the valence band.

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.

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 atom per 108 atoms of semiconductor N-type Si add Group V - electrons P-type Si add Group III deficit of electrons or holes Charge neutrality
Majority and minority carriers

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 electrons is given by the Fermi Function, f(E):
f (E) =
1 1+ e
( E E f ) / k BT
If an energy level is completely occupied by electrons, f(E)=1 For an empty energy level f(E)=0 When E=Ef, exponential is always 1 and f(E)=1/2 Fermi Energy is that energy for which f(Ef)=1/2

Direct & Indirect semiconductors.
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 and likewise, 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.

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 of micro-seconds) while in direct semiconductors it is nano-seconds. Important effect for light-emitting devices direct semiconductors Phonons = Heat

Energy Bands in Crystalscontd impurity ionization levels.
Conduction Band
~0.01eV
Donor Level Ef Acceptor Level Valence Band
Eg
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.

Zinc-blende Crystal structure

Energy Bands in Crystalscontd impurity ionization levels.
~0.01eV

Lattice constant ()


Energy Bands in Crystalscontd. Table 1. Chemical Composition of Commercial LEDs. Color Blue Green Yellow Orange Red Infrared Wavelength (nm) 470 556 578 635 660 or >700 Composition In0.06Ga0.94N GaP GaP0.85As0.15 GaP0.65As0.35 GaP0.40As0.60 Al0.25Ga0.75As GaAs

Energy Bands in Crystalscontd. pn junction Depletion layer electron and hole combination near junction. depletion of charge carriers. acts as a barrier for further movement of free electrons. Potential difference across the depletion layer called Barrier Potential (V0). depends on type of sc, amount of doping, temperature Si: 0.7V, Ge: 0.3V
Potential distribution curve

Biasing a pn junction
p Forward Bias n Reverse Bias p n
No External Field External Field
+
External Field No External Field
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

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)

Current flow in a Forward Biased pn junction
-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
(1)Zero external voltage. Circuit is open at K Potential barrier prevents current flow. Circuit current is zero, shown by point O.
(2)Forward Bias N-type to ve terminal, p-type to +ve terminal Potential 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.
(3)Reverse Bias P-type to ve terminal, n-type to +ve terminal Potential 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.
(3)Reverse Bias Minority 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 Breakdown occurs.

Breakdown Voltage. Minimum reverse voltage at which pn junction breaks down with 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 to dislodge valence electrons from semiconductor atoms Avalanche effect

Knee Voltage. 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.

Zener Diode.
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 voltage is called a zener diode. A zener diode is always reverse biased.

pn junction Limitation in operating conditions of pn junction Maximum forward current exceeding this can destroy due to overheating. Peak Inverse Voltage (PIV) maximum reverse voltage without damaging the pn junction important for rectifier circuit. Maximum power rating. A pn junction is known as a Semiconductor or Crystal Diode.

A pn junction is a Semiconductor Diode.
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

Light Emitting Diodes forward biasing of pn-junction
Interaction of Photons with Matter, or semiconductors Absorption of light Emission of light
Electrons from n-type cross pn junction recombine with holes in p-type. Free electrons in conduction band higher energy than holes in valence band Recombining electrons release energy in the form of heat & light. With GaAs intense light.

Semi-Conducting Magnetic Materials-Week 2-Jan 16-2012

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Semi-conducting & Magnetic Materials

Semi-conducting & Magnetic Materials Schrdinger Equation:

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