Semiconductor physics

The Kronig-Penney model

The Kronig-Penney model demonstrates that a simple one-dimensional periodic potential yields energy bands as well as energy band gaps. The potential assumed in the model is shown in the Figure Solutions for k and E are obtained when the following equation is satisfied[1]
The periodic potential assumed in the Kronig-Penney model. The potential barriers (region I) with width, b, are spaced by a distance (region II), a-b, and repeated with a period, a.

Where

References: [1]http://ecee.colorado.edu/~bart/book/book/chapter2/ch2_3.htm#2_3_

The Kronig-Penney model

This transcendental equation can be further simplified for the case where the barrier is a delta function with area, V0b, for which it becomes

Solutions are only obtained if the function, F, is between -1 and 1 since it has to equal cos(ka).

Graphical solution to the Kronig-Penney model for a = 1nm and V0b = 0.2 nm-eV. Shown is the energy, E, versus ka/p and F, which has to equal cos(ka), from which one can identify the allowed energies.

The Kronig-Penney model

The E(k) relation resembles a parabola except that only specific ranges of energies are valid solutions to Schrdinger's equation and therefore are allowed, while others are not.

The range of energies for which there is no solution is referred to as an energy band gap. The transitions between allowed and forbidden energies occur at non-zero integer multiples of ka/p.

Energy versus ka/pi as presented in Figure (black curves) compared to that of a free electron (gray curves). Shown are: a) the E(k) diagram, b) the E(k) diagram combined with the reduced-zone diagram and c) the reduced-zone diagram only.

Energy bands of semiconductors

A simplified energy band diagram used to describe semiconductors. Shown are the valence and conduction band as indicated by the valence band edge, Ev, and the conduction band edge, Ec. The vacuum level, Evacuum, and the electron affinity, c, are also indicated on the figure.

Temperature dependence of the energy bandgap

Calculate the energy bandgap of Exampl germanium, silicon and gallium e arsenide at 300, 400, 500 and 600 K. Solution

Similarly:

Temperature dependence of the energy bandgap of germanium (Ge), silicon (Si) and gallium arsenide (GaAs)

Doping dependence of the energy bandgap

High doping densities cause the bandgap to shrink. This effect is explained by the fact that the wavefunctions of the electrons bound to the impurity atoms start to overlap as the density of the impurities increase.

Doping dependence of the energy bandgap of germanium (Ge), gallium arsenide (GaAs), and silicon (Si).

Density of States
The density of states in a semiconductor equals the density per unit volume and energy of the number of solutions to Schrdinger's equation. We will assume that the semiconductor can be modeled as an infinite quantum well in which electrons with effective mass, m*, are free to move. The energy in the well is set to zero. The semiconductor is assumed a cube with side L. (This assumption does not affect the result since the density of states per unit volume should not depend on the actual size or shape of the semiconductor.)

The solutions to the wave equation where V(x) = 0 are sine and cosine functions

Density of States Cont...

Where A and B are to be determined. The wavefunction must be zero at the infinite barriers of the well. At x = 0 the wavefunction must be zero so that only sine functions can be valid solutions or B must equal zero. At x = L, the wavefunction must also be zero yielding the following possible values for the wavenumber, kx.

This analysis is true the y and z directions also. volume corresponding to a single solution is The total number of solutions with a different value for kx, ky and kz and with a magnitude of the wavevector less than k is obtained by calculating the volume of one eighth of a sphere with radius k and dividing it by the volume corresponding to a single solution

A factor of two is added to account for the two possible spins of each solution

Density of States Cont...

The density per unit energy is then obtained using the chain rule: The kinetic energy E of a particle with mass m* is related to the wavenumber, k, by:

And the density of states per unit volume and per unit energy, g(E), becomes

The same analysis also applies to electrons in a semiconductor. The effective mass takes into account the effect of the periodic potential on the electron. The minimum energy of the electron is the energy at the bottom of the conduction band, Ec, so that the density of states for electrons in the

Calculation of the density of states in 1, 2 and 3 dimensions

We will here postulate that the density of electrons in kspace is constant and equals the physical length of the sample divided by 2p and that for each dimension. The number of states between k and k + dk in 3, 2 and 1 dimension then equals:
Why?

We now assume that the electrons in a semiconductor are close to a band minimum, Emin and can be described as free particles with a constant effective mass

Elimination of k using the E(k) relation above then yields the desired density of states functions, namely:

Calculation of the density of states in 1, 2 and 3 dimensions

Density of states per unit volume and energy for a 3-D semiconductor (blue curve), a 10 nm quantum well with infinite barriers (red curve) and a 10 nm by 10 nm quantum wire with infinite barriers (green curve). m*/m0 = 0.8.

Fermi-Dirac distribution function

The Fermi-Dirac distribution function, also called Fermi function, provides the probability of occupancy of energy levels by Fermions. Fermions are half-integer spin particles, which obey the Pauli exclusion principle. The Pauli exclusion principle postulates that only one Fermion can occupy a single quantum state. Therefore, as Fermions are added to an energy band, they will fill the available states in an energy band just like water fills a bucket. The states with the lowest energy are filled first, followed by the next higher Electrons are Fermions. ones. Therefore, the Fermi function provides the probability that an energy level at energy, E, in thermal equilibrium with a large system, is occupied by an electron. The system is characterized by its The Fermi function at three different temperature, T, and its Fermi temperatures

Impurity distribution functions

The distribution function of impurities differs from the Fermi-Dirac distribution function even though the particles involved are still Fermions. The difference is due to the fact that an ionized donor energy level still contains one electron with either spin. The donor energy level cannot be empty since this would leave a doubly positively charged atom, which would have an energy different from that of the singly ionized donor level. The distribution function for donors therefore differs from the Fermi function and is given by:

The distribution function for acceptors differs also because of the different possible ways to occupy the acceptor level. The neutral acceptor contains no electrons. The ionized acceptor contains one electron, which can have either spin, while the doubly negatively charged state is not allowed since this would require a different energy. This restriction would yield a factor of 2 in front of the exponential term. In addition, one finds that most commonly used semiconductors have a two-fold degenerate valence band, which causes this factor to increase to four, yielding:

Carrier densities
The density of electrons in a semiconductor is related to the density of available states and the probability that each of these states is occupied. Since holes correspond to empty states in the valence band, the probability of having a hole equals the probability that a particular state is not filled, so that the hole density per unit energy, p(E), equals:

density of states in the conduction band, gc(E)

gv(E) is the density of states in the valence band

The density of carriers is then obtained by integrating the density of carriers per unit energy over all possible energies within a band.

Carrier densities Cont...

This general expression is illustrated with Figure for a parabolic density of states function with Ec = 0. The figure shows the density of states function, gc(E), the Fermi function, f(E), as well as the product of both, which is the density of electrons per unit volume and per unit The carrier density integral. Shown are the density of energy, n(E). The integral states, gc(E), the density per unit energy,n(E), and the corresponds to the probability of occupancy, f(E). The carrier density, no, equals the crosshatched area. crosshatched area. of the top of the The actual location conduction band does not need to be known as the Fermi function goes to zero at higher energies. The upper limit can therefore be replaced by infinity. We also relabeled the carrier density as no to indicate that the carrier density is the carrier density in thermal equilibrium.

Carrier densities Cont...

Similarly for holes one obtains:

The density of states and carrier densities in the conduction and valence band. Shown are the electron and hole density per unit energy, n(E) and p(E), the density of states in the conduction and valence band, gc(E) and gv(E) and the probability of occupancy, f(E). The crosshatched area indicates the electron and hole densities.

Carrier densities Cont...

While These integral can not be solved analytically at non-zero temperatures, we can obtain either a numeric solution or an approximate analytical solution. Non-degenerate semiconductors

where Nc is the effective density of states in the conduction band. The Fermi energy, EF, is obtained from:
Similarly

Carrier densities Cont...

The effective density of states in the conduction band of germanium equals:

Note that the effective density of states is temperature dependent and can be obtain from:

Intrinsic semiconductors
Intrinsic semiconductors are usually non-degenerate, so that the expressions for the electron and hole densities in non-degenerate semiconductors apply. Labeling the Fermi energy of intrinsic material as Ei, we can then write two relations between the intrinsic carrier density and the intrinsic Fermi energy, namely: It is possible to eliminate the intrinsic Fermi energy from both equations, simply by multiplying both equations and taking the square root. This provides an expression for the intrinsic carrier density as a function of the effective density of states in the conduction and valence band, and the bandgap energy Eg = Ec - Ev.

Intrinsic semiconductors

The temperature dependence of the intrinsic carrier density is dominated by the exponential dependence on the energy bandgap. In addition, one has to consider the temperature dependence of the effective densities of states and that of the energy bandgap.
Intrinsic carrier density versus temperature in gallium arsenide (GaAs), silicon and germanium. Compared is the calculated density with (solid lines) and without (dotted lines) the temperature dependence of the energy bandgap.

Mass action law

Intrinsic material as reference

Note that Ei is not exactly at the midle of the bandgap. The difference depends on the ratio mh/me

Analysis of non-degenerately doped semiconductors

The total charge density is therefore given by

Using Mass Action law, exact solution is:

Fermi energy of n-type and p-type silicon, EF,n and EF,p, as a function of doping density at 100, 200, 300, 400 and 500 K. Shown are the conduction and valence band edges, Ec and Ev. The midgap energy is set to zero.

Analysis of non-degenerately doped semiconductors

Non-equilibrium carrier densities

To describe a system that is not in thermal equilibrium we assume that each of the carrier distributions is still in equilibrium with itself. Such assumption is justified on the basis that electrons readily interact with each other and interact with holes only on a much longer time scale. As a result the electron density can still be calculated using the Fermi-Dirac distribution function, but with a different value for the Fermi energy. The total carrier density for a non-degenerate semiconductor is then described by:

Where dn is the excess electron density and Fn is the quasi-Fermi energy for the electrons

Where dp is the excess hole density and Fp is the quasi-Fermi energy for the holes.