BAND THEORY OF SOLIDS

The model of free electrons in the metal that has been discussed in the previous chapter
can be used to explain the heat capacity, thermal conductivity, electrical conductivity and can
explain the magnetic susceptibilities and electrodynamics of solid metal material. However,
these models fail to explain some questions about; difference between metals, semi-metal
semiconductors, isolators and the emergence of a positive Hall coefficient. Even the model of
free electrons cant be used to explain the relationship of the conduction electrons in a metal
with valence electrons of free atoms.
The difference between a good conductor and a good isolator is very striking. Resistivity
of a pure metal is lower than 10-10 ohm cm and at a temperature of 1 K portion of the metal can
be a superconductor, while the resistivity of an isolator is greater than 1022 ohm cm.
Each solids containing electrons. An important question is how the electrical conductivity
of electrons respond to the electric field done on the solids. Will be seen that the electrons in
the crystal are arranged in bands separated by an energy in the energy region where no electron
waves that can be allowed, the energy area known as the restricted areas or energy gap or band
gap.
Crystal behaves as an isolator if the allowed energy band is fully loaded or empty, so no
electrons can move by the presence of an electric field. Crystal behaves as a conductor if one
or several partially filled band. To understand the difference between conductors and isolator,
the model of free electrons must be treated on a periodic lattice of solids.

A. Nearly Free Electron Model

As has been shown in the previous chapter that the model of the free electron
energy prices that permitted distributed continuously from zero to infinity, namely

2 2
Ek
k x k y2 k z2 ..................................................................... 1.1
2m
Where for periodic boundary condition in a cube with sides L

k x , k y , k z 0;

2
4
;
;.... .......................................................... 1.2
L
L

Free electron wave function is

k (r) ei( k.r) ................................................................................... 1.3

Which states wave with momentum p k.

Band structure in a crystal can be described by using the model of nearly free
electrons, in which the electrons are treated as experience reflected only by the periodic
potential of the ions core. This model can answer all questions about the qualitative
behavior of the electrons in the metal. Bragg monitoring of electron waves in a crystal
is causing the emergence of the energy gap. The energy gap is a significant tool to
distinguish whether the solid is isolator or conductor.
To understand the emergence of the energy gap, can be started from the simplest
problem is that a solid substance linearly with lattice constant a. Figure 1.1 a, shows
the energy band structure for the free electrons and figure 7.1 b, shows the energy band
structure for nearly free electrons with an energy gap at k = /a. From requirements
of Brag to the diffraction wave with wave vector k is (k + G) = k2 for one dimension
will produce
k = G = n/a ............................................................................ 1.4
Where G = 2n/a is the reciprocal lattice vector and n is an integer. First electron wave
reflection and the first energy gap occurs at k = /a. Region in k space between - /a
until /a is called the first Brillouin zone of the lattice. Energy gap else going on next
n price.

Figure 1.1 Band energy E as a function of k

(a) for the model of free electrons
(b) for a nearly free electron models
The wave function at the price k = /a is not a wave function of free electrons.
For the price k is the wave functions are mutually exclusive between the wave
propagates to the right and waves radiating to the left, when applied to the Bragg
reflection condition k = /a, the wave propagates to the right experience Bragg
reflection to the left and so did the waves radiating to the left undergo Bragg reflection
to the right. So causing standing waves, which can not spread everywhere.

State non-dependent on the time indicated by the standing wave. There are two
different forms of standing waves produced by two waves radiating i.e. exp(ix/a ),
namely;

() e(ix / a) e(ix / a) 2 cosx / a and

() e(ix / a) e(ix / a) 2 sin x / a ......................................... 1.5

Standing wave is marked (+) or (-) based on whether there is a change sign when -x
substituted for x. Both are composed of parts of the left and right direction of the wave
propagates the same.
Both standing wave (+) and (-) carries electrons opposite each other on
different areas, therefore the two waves have the potential energy is different. The
probability of a particle density is * = ||2. For pure radiating waves then = 1,
so that the charge density is constant. Suppose that the standing wave is (+) then
2

() () cos2 x / a .............................................................. 1.6

This function firing electrons at the positive ions centered at x = 0, a, 2a, .... like Figure
1.2 below where the potential energy is the lowest.
Figure 1.2a shows the change of the electrostatic potential energy of the
conduction electrons in the core field of positive ions. Ion core is because the number
of positive charge in the metal atoms ionized by the valence electrons leaving to form
the conduction band. The potential energy of an electron in the field of positive ion field
is worth negative, so that the force between electrons with ion core is attractive.
For other standing wave (-) is the probability density
2

() () sin 2 x / a ............................................................... 1.7

Which concentrate electrons leave the nucleus. In the picture shown 1.2b electron
concentration for a standing wave (+), (-), and traveling wave.
If the calculated value of the expectation of a third potential energy of the charge
distribution is obtained that the potential energy of (+) is smaller than the potential
energy wave, while the potential energy of (-) is higher than the potential energy
wave. From this state obtained with a wide energy gap Eg which is the potential energy
difference (-) and (+). From Figure 1.1 it can be seen that a little under Eg at point A
is the wave function (+) and slightly above Eg that point B is the wave function (-).

The wave function at the Brillouin zone boundary k = /a is

2 cosx / a and

2 sin x / a normalized for the entire unit length. The potential energy of an electron
in a crystal at the point x is
U ( x) U cos(2x / a) ........................................................................ 1.8

In the first order, the energy gap between the states of the standing wave is
1

2
2
Eg dxU ( x) () () ..................................................... 1.9

2 dxU cos(2x / a) cos2 x / a sin 2 x / a U

Which states that energy is equal to the Fourier components of the potential energy of
the crystal.

Figure 7.2
(a) Changes in the potential energy of the conduction electrons in the field the
core of the linear lattice
(b) The distribution of the probability density for the third wave (+), (-),
and a traveling wave

B. Bloch Functions
To develop a model of electrons in a solid substance, it must be included the
effect of the periodic structure of the lattice. Influence of periodic lattice structure is
changing the free particle wave function, so that the amplitude becomes permanent.
Bloch develop important theorem to completion Schrodinger equation for a periodic
potential. The wave function described equation 1.3 will have varying amplitude lattice
period becomes;

k (r ) e i(k .r ) u (r ) ............................................................................... 1.10

Where u (r) is an arbitrary amplitude, which is repeated from one lattice to the next
lattice. In the case of a linear lattice with lattice spacing a, the equation becomes;

k (x) e i(k.x ) u( x) .............................................................................. 1.11

Where u (x) satisfy;
u(x + a) = u(x) .................................................................................... 1.12
Equations 1.11 called Bloch functions and 1.12 is a requirement Bloch equations.

C. Band Energy
Furthermore, Bloch function is applied to the N lattice points are lined up along
the N a, then the wave function obtained must meet the periodic nature along the N
lattice points, namely:
k(x) = k(x + Na) ............................................................................ 1.13
besides that, because the function uk(x) for each atomic lattice point is the same, then
it must also apply:
uk(x) = uk(x + Na) .............................................................................. 1.14
Both rules is applied as the completion of the function will generate from 1.11 Bloch
equation:

ei( kNa) 1 .......................................................................................... 1.15

thus obtained
k=

2n
with n = 0, 1, 2, 3, ............................................................ 1.16
Na

equations expressed uk(x) has periodesitas a.

Equations 7.11 can be explained by assuming that u k (x) is equal to the wave
functions of isolated atoms and replacing eik.x with free electron wave function in the
potential box. Electron energy is actually not entirely the kinetic energy as expressed

by equation 1.1, as there is still the potential energy contribution of the core ion
interaction with the lattice. Influence of periodic structures lattice is only the movement
of electrons at prices approaching k n / a and this effect produces energy gap. In the
interval the value k electrons can move freely in the lattice without barriers and at the
approach of k = n / a high interference by lattice. The movement of electrons in the
lattice can be considered the same as the propagation of electromagnetic waves in a
crystal. Scattering of electromagnetic waves by atoms in a lattice-atom produce waves
that meet the Bragg condition.
2 a sin = n ..................................................................................... 1.17
For the coming wave perpendicular to the = / 2. This condition can be
applied to the electron wave propagation along the lattice. Bragg reflection will occur
in the second condition a = n , because k = 2 / then obtained the condition of Bragg
reflection at k = n / a in accordance with the equation 1.11. By cause value of k linear
grating impede the movement of electrons by giving a powerful force to move in the
opposite direction. The interval value of K permitted for electrons move freely called
the Brillouin zone, as shown in Figure 1.3 below.

Figure 1.3 Brillouin Zone and Band Energy

Electrons in the region of the Brillouin zone can only do free motion on the
Brilloin zone area. These conditions generate energy bands which is a collection of
energy-energy electrons are in permitted area. An area allowable energy contained

area energy is not permitted for electrons to be in the energy area, which is called the
gap energy.
Energy band is collection of energy electrons have the same energy level,
therefore, an energy band will be a collection of electrons that have the same energy,
so that the right called as group more electrons with the same energy level. To
determine the speed of the electrons in the energy band is more appropriately take into
account the group velocity expressed by vg = d/dk and E = , then the speed of the
electrons in the energy band is

1 dE
............................................................................................ 1.18
dk

by comparing the slope of the curve of figure 7.3 it can be concluded that the electron
velocity in the first Brillouin zone is changing, as shown in figure 1.4 below.

With states outside force experienced by electrons is F, then the effort put in
this force is Fv dt. These results change of the electron energy dE, so it can be written
F v dt = dE = (dE/dk).dk. Equations 1.18 obtained from the force acting on the electron
during its motion in the Brillouin zone is
F=

dk
............................................................................................ 1.19
dt

Equation 1.18 and 1.19 described by figure 1.3 and 1.4. In the Brillouin zone k
rises when the price rose by electron velocity constant acceleration, but k so close to
the price /a, the electron is accelerated through a very large so that the speed of
electrons into the opposite direction and so on until value k approaching value -/a
electron will experience a reversal of the direction of motion.
In the second Brillouin zone equation 1.18 and 1.19 describe by equation as in
Figure 1.6 (a) and (b) below.

Figure 1.6 (a) The speed of electrons in the second Brillouin zone
(b) Acceleration of electrons in the second Brillouin zone
Force F acting on the electrons in the Brillouin zone area is a resultant external
force and style lattice interaction, while the acceleration a is a real acceleration
experienced by the electron zone, therefore the second law of Newton would be more
appropriate written in the form F = m*.a where m* is the effective mass of the electron.
From the relation a = (dv/dt) and equation 7.18 and the equations derived 7.19
definition of effective mass:
2
2d E
m* =
..................................................................................... 1.20
2

dk

It should be noted that when the electrons in a free state, the m* = m, usually
m* is a function of the lattice parameters and the momentum of the electrons in the
lattice k . From the graph which states E function k (figure 7.3) it can be seen that m*
valuable positive on negative base and precious ribbon at the top of the energy band.
m* be very large to infinity at the turning point of the energy curve, ie at the point of
maximum (figure 7.6 a). Changes value m* of the first Brillouin zone k in the image
shown below 1.5.

D. Model Kronig Penney

Bloch theorem gives the general form of the wave functions in a periodic
potential, therefore, provide the development and study of models for explain behavior
of free electrons in the crystal. Alternative models for the development of Bloch
theorem is based on the Kronig-Penney approach, Kronig-Penney models centered on
repeated rows of square potential well shape, which is illustrated by Figure 1.8.

Figure 1.8 Square potential wells periodically

The wave function for the case is:

2 d 2
U(x) E ................................................................ 1.21
2m dx 2

Where U(x) is the potential energy and E is the energy eigenvalues. In the region
0xa in which U = 0 then the eigen function is a linear combination of

AeiKx Be-iKx ........................................................................... 1.22

Which states a flat wave that propagates to the right and to the left, with energy
E=

2K 2
.......................................................................................... 1.23
2m

In the area -b x 0 is in the well, the completion of the wave function equation 1.22

CeQx De-Qx ............................................................................ 1.24

which is an exponential function of x, with energy

U0 - E

2Q2
................................................................................... 1.25
2m

By applying the Bloch theorem, the equation 1.5, the completion of the wave function
in a region a x a+ b must be associated with the completion of 1.24 in the regional
equation -b x 0, the Bloch theorem:
( a x a+ b ) = ( -b x 0 ) eik( ab) ....................................... 1.26
Wave vector k is used as an index to identify a solution.

Constant chosen such that and d/dx continuous at x = 0 and x = a. In x = 0 get:

A + B = C + D .................................................................................... 1.27
ik (A B) = Q(C D)
In x = a, by using equation 1.26 to (a) under the well, then the (-b) get:
AeiKa + Be-iKa = (Ce-Qb + DeQb)eiK(a + b) ............................................. 1.28
iK(AeiKa + Be-iKa) = Q(Ce-Qb - DeQb)eiK(a + b)
Equation 7.27 and 7.28 only if the determinant of the coefficients A, B, C, and D is
zero, or if:

Q2 K 2

sinh Qb sin Ka cosh Qb cos Ka cos k (a b) ............. 1.29

2QK

Equation 1.29 is an equation that is somewhat difficult to determine its

completion, the equation for the simplified by using the approach of using a potential
periodic delta function, ie U o = , to limit b = 0, in such circumstances
(P/Ka) sin Ka + cos Ka = cos ka ........................................................ 1.30
Intervals of K for which the equation 1.30 has settlement illustrated by Figure
1.9 for the case P = 3/2

Figure 1.9 Diagram for (P/K a) sin cos K a + K a, for P = 3/2

1

2mE 2 2
a , in which the
Allowable energy for the region is to meet the Ka =
2

function is located between -1 to +1. For other energy prices, no waves travels or no
settlement Bloch functions that meet the wave function, so that the area is forbidden
energy region. In the forbidden area the shaded diagrams by curve describe thick.

E. Density of Electron in Band Energy

Electrons density state in an energy band resulted in a number of circumstances
in a certain energy interval. This function is important to be known primarily as a

transport phenomenon in the electronic process. If the state of the meeting expressed
by g (E), then g (e) state the number of electron states in the volume unity area energy
E to (E + dE). The shape of the function g (E) is associated with contour energy and
energy band structure, the structure of energy described by the form g (E). In standard
form the electron energy is expressed in the form of the following dispersion relation:

2k 2
2 m*

............................................................................................ 1.31

This form is only suitable for energy value close to the base of the Brillouin
zone, contour of energy will form a ball room with spokes k, so that the state of the
meeting can be seen to have the form k space structure shaped ball room. Because the
shape of the structure of the ball approaches the ball chamber volume is expressed with
4k2dk. The value of number k is allowed unity k space volume is 1 / (2 ) 3. Thus the
number of energy states in the energy region E to (E + dE) is;
dN =

4k 2dk

2 3

..................................................................................... 1.32

by writing in the form of the energy equation becomes 7.32

3
* 2

1 2m 2
E dE .................................................................. 1.33
dN =
4 2 2
taking into account that each energy state can be occupied by two electrons with
opposite spin quantum number, the meeting defined energy states of d N (E) / d E. was
obtained;
3

1 2m* 2 2
E ..................................................................... 1.34
g(E) =
2 2 2
Equation 7.34 shows that g (E) E 1/2, which means that g (e) has a parabolic shape,
which is shown in Figure 1.10

Figure 7.10 Electron density in the energy band

The function g (E) increases to E, with greater energy will cause the spokes, the
greater k, finally the number of states with greater energy will be greater, besides that
g (E) m * 3/2, which states that mass the large brackish larger generate the density of
states.
With his complex factors that determine the shape of the curve state function,
so that the form of the function g (E) no longer appropriate as parabolic, then to declare
a state function of the energy level in the energy band used the energy interval near the
top of that band:
3

1
1 2m* 2

E t E 2 .......................................................... 1.35
g(E) =
2 2 2

where E t is the energy was smack of the valence band (calendar notes that E E t). So
the density expressed by the function g (E) has an inverted parabolic shape, in which
the parabolic shape only in areas close to the peak of the energy band.
Based on the definition that g (E) d E stating the amount of energy states that lie
in the interval till the energy E (E + d E), then the number of electrons that fill the
energy area is expressed by:
dn(E) = f(E) g(E) dE........................................................................... 1.36
with f (E) states Fermi-Dirac distribution function.