Band Theroy of Solids 1
Band Theroy of Solids 1
Band Theroy of Solids 1
Band Theory was developed with some help from the knowledge
gained during the quantum revolution in science. In 1928, Felix
Bloch had the idea to take the quantum theory and apply it to
solids. In 1927, Walter Heitler and Fritz London discovered
bands- very closely spaced orbitals with not much difference in
energy.
Origin of energy band formation in solids
In this image, orbitals are
represented by the black horizontal
lines, and they are being filled with
an increasing number of electrons
as their amount increases.
Eventually, as more orbitals are
added, the space in between them
decreases to hardly anything, and
as a result, a band is formed where
the orbitals have been filled.
Different metals will produce different
combinations of filled and half filled bands.
Sodium's bands are shown with the rectangles.
Filled bands are colored in blue. As you can see,
bands may overlap each other (the bands are
shown to be able to tell the difference between
different bands).
The lowest unoccupied band is called the
conduction band, and the highest occupied band is
called the valence band.
Energy Bands
—What will happen when two isolated atoms (e.g., H) are brought together?
Wave functions
Energy degeneracy is brokenthe splitting of energy level 1s and 2s .
Energy levels
The lowering of energy of the bonding state gives rise to the cohesion of the
system.
These results can be obtained by solving the Schrödinger equation with the
LCAO approximation.
LCAO liner combination of atomic orbital's.
—What will happen when many (N) Si atoms are
brought together to form a solid?
Electronic configuration of Si
1s22s22p63s23p2
Conduction band
Valence band
Forbidden band (band gap Eg)
Electronic properties
Energy Bands models for solids
An important parameter in the band theory is the Fermi level, the top of the
available electron energy levels at low temperatures. The position of the Fermi
level with the relation to the conduction band is a crucial factor in determining
electrical properties.
Conductors
Metals are conductors. There is no band gap between their valence and conduction bands,
since they overlap. There is a continuous availability of electrons in these closely spaced
orbitals.
Insulators
In insulators, the band gap between the valence band the the conduction band is so large
that electrons cannot make the energy jump from the valence band to the conduction band.
Semiconductors
Semiconductors have a small energy gap between the valence band and the conduction
band. Electrons can make the jump up to the conduction band, but not with the same ease
as they do in conductors.
Metals, Semiconductors, and Insulators
—Every solid has its own characteristic energy band structure.
—In order for a material to be conductive, both free electrons and empty states must be available.
Metals have free electrons and partially filled valence bands, therefore they
are highly conductive (a).
Semimetals have their highest band filled. This filled band, however,
overlaps with the next higher band, therefore they are conductive but with
slightly higher resistivity than normal metals (b). Examples: arsenic, bismuth,
and antimony.
Insulators have filled valence bands and empty conduction bands, separated
by a large band gap Eg(typically >4eV), they have high resistivity (c ).
Semiconductors have similar band structure as insulators but with a much
smaller band gap. Some electrons can jump to the empty conduction band by
thermal or optical excitation (d). Eg=1.1 eV for Si, 0.67 eV for Ge and 1.43 eV
for GaAs.
Semiconductor
Semiconductor is a material that has resistivity (ρSc) value
between that of a conductor and insulator.
(ρc < ρSc <ρins)
For Si and Ge
Group V elements such as As, P, Sb are donor impurities.
Group III elements such as B, Al, Ga and In are acceptor impurities.
Ionization energies for dopants in Si & Ge (eV)
Type Element In Si In Ge
P 0.044 0.012
n-type As 0.049 0.013
Sb 0.039 0.010
B 0.045 0.010
Al 0.057 0.010
p-type
Ga 0.065 0.011
In 0.16 0.011
A semiconductor is direct if
Direct and Indirect band gap Semiconductors the maximum of the conduction
• The real band structure in 3D is calculated with various band and the minimum of the
numerical methods, plotted as E vs k. k is called wave valence band has the same k
vector.
value.
•For electron transition, both E and p (k) must be
A semiconductor is indirect if
conserved.
the …do not have the same k
value.
Direct semiconductors are
suitable for making light-
emitting devices, whereas the
indirect semiconductors are not.
Realistic Band Structures in Semiconductors
(2)
E →
from the top of the valence
P(E) → band to the bottom of the
Eg/2 conduction band.
EF Thermal excitation is an
Eg easier route.
0 0.5 1
In the low energy region (i.e., E – EF << –kT),
the occupation probability approaches 1. In other
words, the low energy states tend to be fully
occupied.
(3)
(5)
Where there are more acceptors there are more
holes
This is neutrality: at
any location, the
number of positive
charges equals the
So you might expect this:
number of negative
charges
Graphically, this integration
gives the shaded area in Fig.
which yields the density of
electrons.
And set the upper limit of
integration at infinity. Resetting
the upper limit is acceptable
because of the rapid fall of f(E)
with increasing E.
Schematic band diagram, density of states, Fermi–Dirac
distribution, and carrier distributions versus energy.
DENSITY OF STATES
An expression for the hole concentration can be derived in the same way. The probability of
an energy state being occupied by a hole is the probability of it not being occupied by an
electron, i.e., 1– f (E). Therefore,
Since EF cannot be close to both Ec and Ev, n and p cannot both be large numbers at
the same time. When Eqs. n and p are multiplied together, we obtain
(a)
Equation (a) states that the np product is a constant for a given semiconductor and T,
independent of the dopant concentrations. It is an important relationship and is usually
expressed in the following form:
For Intrinsic semiconductors n=p=ni
There are always some electrons and holes present—whether dopants are present or not. If
there are no dopants present, the semiconductor is said to be intrinsic.
Intrinsic Semiconductor
—a perfect semiconductor crystal with no impurities or
lattice defects.
n = p = ni
Here
Zi = Charge of an impurity type < + for donar , - for acceptor,
Ni = Concentration of the impurity type (per volume)
For Example, if there are one type of donor and one type of acceptor,
p +ND + - NA - -n=0
p +ND + = NA - +n
Extrinsic Semiconductors: P-Type
ni2 ni2
p
n Nd Na n Nd Na
N a N d ni
More acceptors than donors
ni2 ni2
n
p Na Nd p Na Nd
Silicon bond model
Si is Column IV of the periodic table,
At 0K:
No “free” electrons.
Generation and Recombination
GENERATION process
=> break-up of covalent bond to form electron and hole pairs…..
RECOMBINATION process
=> formation of covalent bond by bringing together electron and hole
p N 1
x
x
L p N exp
Ld
dp dp
J p , diff qD p J p ,diff qD p
dx dx
N qD p N x
qD p exp
L Ld Ld
NOTE:
=( )
where = mean free path between collision
so rate of flow of electron in +x direction per unit area will be = electron flux density[ ] crossing
point
= (1)
since is very small differential length so difference in electron concentration can be written as
=
The Potential Variation within a Graded Semiconductor
Consider a semiconductor where the hole concentration p is a
function of x; that is, the doping is non-uniform or graded.
Hence the total hole current must be zero (also, the total
electron current must be zero).
Since p is not constant, we expect a non-zero hole diffusion
current. In order for the total hole current to vanish there
must exist a hole drift current which is equal and opposite
to the diffusion current.
Diffusion current: This is the current which is due to the
transport of charges occurring because of non-uniform
concentration of charged particles in a semiconductor.
Drift current, by contrast, is due to the motion of charge
carriers due to the force exerted on them by an electric field.
Diffusion current can be in the same or opposite direction of a
drift current.
However, conduction current requires an electric field
and hence we conclude that, as a result of the non-uniform
doping, an electric field is generated within the
semiconductor.
We shall now find this field and the corresponding potential variation
throughout the bar. (Drift Diffusion Equation)
If the doping concentration p (x) is known, this equation allows the built
in field E (x) to be calculated.
PN Diode
When N-type and P-type dopants are introduced side-by side in a
semiconductor, a PN junction or a diode is formed.
Depletion Region
As free electrons and holes diffuse across the junction, a region of fixed
ions is left behind. This region is known as the “depletion region.”
Current Flow Across Junction: Drift
-- ++
Equilibrium
p n
- - E ++
-- ++ -- ++
p -- ++ n Forward Biased
W
-- ++
WF
+ve terminal is applied to the n-region of the pn junction and vice versa.
Applied voltage VR will induce an applied electric field EA.
Direction of the EA is the same as that of the E-field in the space-charge region.
Magnitude of the electric field in the space-charge region increases above the
thermal equilibrium value. Total ET = E + EA
Increased electric field holds back the holes in the p-region and the electrons in
the n-region.
Hence, no current Reverse-Biased pn Junction
across the pn junction. W
This applied voltage
polarity is called
-- ++
reverse bias.
p E n Equilibrium
E charge so, since -- ++
there is an increase of
the electric field in the - - ++
depletion region, the - - - - ++ ++
ET
number of charges p n Reverse Biased
- - - - ++ ++
increases too since the
width of the depletion - - - - ++ ++
increases. WR