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Basic Semiconductor and Metal-Oxide-Semiconductor (MOS) Physics

53

E

X

L

1.43 eV

k

GaAs

Direct Band Gap Material

E

L

X

2.36 eV

k

AlAs

Indirect Band Gap Material

FIGURE 2.6

Energy band diagram in GaAs and AlAs.

material with a band gap of 1.43 eV. The direct (k = 0) conduction band minimum is denoted as λ. The lowest-lying indirect minimum is denoted as L and the other as X. In GaAs, as shown in Figure 2.6 (top), there are two higher-lying indirect minima, but these are sufficiently far above λ and few electrons reside there.

In AlAs shown in Figure 2.6 (bottom), the direct transition minimum is much higher than the indirect minimum and so this material is an example of indirect band-gap semiconductor with a band gap of 2.16 eV at room temperature. In the ternary compounds, all of these conduction band minima move up relative to the valence band, as the composition X varies from 0(GaAs) to 1(AlAs). However, the indirect minimum moves up less than the others when the compositions are above 38 percent Al. Also here this indirect minimum is actually the lowest-lying conduction band. AlGaAs is a direct band-gap semiconductor when X = 0 to X = 0.38 and is an indirect semiconductor for higher Al mole fractions. GaAs1–xPx is generally similar to AlGaAs, which is also a direct band-gap semiconductor up to X = 0.45. This material is

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Technology Computer Aided Design: Simulation for VLSI MOSFET

often used in light-emitting diode (LED) fabrication. Light emission is most efficient for direct materials, in which the electron can drop to the valence bands without changing k and therefore the momentum. By changing X, we can change the color of the light by changing the band gap [8].

2.3  Concept of Effective Mass

The effective mass of a semiconductor is obtained by fitting the actual E-k diagram around the conduction band minimum or the valence band maximum by a paraboloid shown in Figure 2.7. While this concept is simple enough, the issue turns out to be substantially more complex due to the occasional anisotropy of the minima and the maxima. A single electron is assumed to travel through a perfectly periodic lattice. The parameter m* called the effective mass takes into account all the internal forces in the lattice. Electrons are considered as classical particles whose motions are governed by classical mechanics when all the internal forces are taken care of through the concept of the effective mass.

Now classical laws like F = m*a are applied, where a is now directly related to external force. We know the electron momentum is p = mv = k, where the symbols have their usual significances. Thus,

E =

1

mv2

=

1

 

p2

=

1

 

2

k2

(2.1)

2

2

 

m

2

 

m

 

 

 

 

 

 

 

 

E

k

FIGURE 2.7

Example of an E-K diagram.

Basic Semiconductor and Metal-Oxide-Semiconductor (MOS) Physics

The electron energy is parabolic with wave vector k.

dE = 2 k = p dk m m

1 dE = p = vdk m

55

(2.2)

where v is the velocity of particle.

dE

is related to the velocity of the particle.

 

dk

 

d2E

 

The electron mass is inversely related to

. So

2

 

 

 

dk

d2E = 2 dk2 m

(2.3)

1d2E = 1

2 dk2 m

For a free electron the mass is a constant, so ddk2E2 is a constant. Also

k =

2mE

 

 

For a free electron total energy E is equal to the kinetic energy. So,

 

 

 

1

 

2

 

 

 

 

 

2mE

 

2m

 

mv

 

 

 

p

 

 

 

2

 

 

 

 

=

 

 

 

 

=

= k

 

2

 

2

 

 

 

(2.4)

 

 

 

 

 

 

E = p2 = k2 2

2m 2m

The E-k relationship is parabolic. The effective mass is a parameter that relates the quantum mechanical results to the classical force equations.

2.4  Basic Semiconductor Equations

The analyses of most semiconductor devices include the calculation of the electrostatic potential within the device as a function of the charge distribution [9]. Electromagnetic and electrostatic theories are used to obtain the potential. Short descriptions of the necessary tools, namely Gauss’s law, Poisson’s equation, and the Boltzmann transport equation, are given below.

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Technology Computer Aided Design: Simulation for VLSI MOSFET

2.4.1  Gauss’s Law

Gauss’s law gives a relationship between the charge density, ρ(x), and the electric field, E(x). Considering no time-dependent magnetic fields, the onedimensional equation is given by

dE(x) ρ(x)

(2.5)

dx =

ε

 

Integrating the above equation, the electric field for 1D charge distribution is given as

E(x2 ) E(x1 ) = x2

ρ(x)

dx

(2.6)

ε

x1

 

 

 

In three dimensions, application of Gauss’s law gives the divergence of the electric field:

E(x, y, z) =

ρ(x, y, z)

(2.7)

 

ε

 

2.4.2  Poisson’s Equation

The electric field is defined as the negative gradient of the electrostatic potential, Ψ(x), or in one dimension, as the negative derivative of the electrostatic potential:

dΨ(x)

= −E(x)

(2.8)

dx

 

 

The electric field starts from a higher-potential region and points toward a lower-potential region.

Integration of the electric field gives the expression of potential as

Ψ(x2 ) − Ψ(x1 ) = −x2

E(x) dx

(2.9)

x1

 

 

Putting the expression of the electric field from Equation (2.8) into Equation (2.5), the relation between the charge density and the potential is obtained as

d2Ψ(x)

= −

ρ(x)

(2.10)

dx

2

ε

 

 

 

This equation is referred to as Poisson’s equation.

Basic Semiconductor and Metal-Oxide-Semiconductor (MOS) Physics

57

In three dimensions, the potential gradient is given by

 

Ψ(x,y,z) = E(x,y,z)

(2.11)

Combining Equations (2.11) and (2.7), the general form of Poisson’s equation is given by

2Ψ(x, y, z) = −

ρ(x, y, z)

(2.12)

ε

 

 

2.4.3  Boltzmann Transport Equation

The Boltzmann transport equation (BTE) is a semi-classical approach to carrier transport. It describes the evolution of the trajectory of a particle by using a combination of Newtonian mechanics and quantum probabilistic scattering rates. The former account for the classical motion of the particle, and the latter for dissipative processes from one energy state to another. Unlike quantum transport, the energy eigen-states are not determined during the solution but are pre-computed by an independent method. The BTE can be derived from the Liouville-von Neumann transport equation under simplifying assumptions and ignoring all phase coherence [10,11]. A good introduction to the BTE, its physical parameters, and its application for device simulation can be found in [10].

For deriving the BTE a phase space is considered about the points (x, y, z, px, py, pz) as in [12], where (px, py, pz) are the angular components of p-type orbitals. The particles entering the considered phase space in time dt are equal to the number of

particles in (x vxdt, y vydt, z vzdt, px Fxdt, py Fydt, pz Fzdt) at some earlier dt time, where F is the external force on a particle and (Fx, Fy, Fz) are the respective

directional components of the force. Let the number of particles per unit volume in the phase space be represented by f(x, y, z, px, py, pz). The change in this distribution function in time dt as a result of the external force and the movement of particles is

given from [12] as df = f (x vxdt, y vydt, z vzdt, px Fxdt, py Fydt, pz Fzdt)

f (x, y, z, px , py , pz ).

The time derivative of this function from Taylor series is given by dfdt = −(F p f + v r f ). However, if the scattering or collision of particles in the phase space due to particles from outside is considered, the time derivative takes the form

df

= −(F

p f + v

r f ) + s(r, p,t) +

f

 

 

(2.13)

 

 

dt

t

 

collision

 

 

 

 

 

where tf collision is the rate of change of distribution function due to collisions from other particles outside the phase space; s(r,p,t) is the term accounting

for the generation-recombination processes; s(r,p,t) stands for the probability

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Technology Computer Aided Design: Simulation for VLSI MOSFET

of having generation-recombination at a position r at time t having particle momentum p. If particle momentum is replaced by crystal momentum the time derivative of f is given by

f (r, k,t)

+

1

F

k f (r, k,t) +

1

kE(k) r f (r, k,t) = s(r, k,t) +

f

 

 

(2.14)

t

 

 

t

 

 

 

 

 

collision

 

 

 

 

 

This equation is the Boltzmann transport equation or continuity equation in 6D-phase space.

Because the BTE does not include phase information, it is simpler to solve than quantum transport. There are several methods of solution of BTE. Among the earlier approaches was the Legendre polynomial expansion [13]. Such methods did not achieve much success because the drastic approximations used to simplify the problem and to obtain analytical solutions were valid only in the simplest cases and not for any practical devices. Other earlier methods were based on an iterative integration technique that worked well only for low-field transport [14]. In the 1960s, a method based on the Monte Carlo technique was suggested as a means to solve the BTE. It has achieved the most success among all other methods so far, due to its ease of programming, ease of including a variety of physical effects in the same framework, simple numerical algorithms, and low memory requirements (review in [15]). The Monte Carlo technique can simulate transport in complicated device geometries with complicated band structures [16,17]. However, the Monte Carlo technique suffers from several fundamental disadvantages (i.e., statistical noise in low-bias near-equilibrium conditions). These conditions involve events that occur at exponentially decreasing probabilities and cannot be detected by a stochastic method that has a wellknown convergence only for nearly uniform distributions. Some methods have been suggested to “enhance” the exponential tails of distribution functions so that they can be detected and that has provided some respite [18]. However, a stochastic method inherently has lesser accuracy than a direct numerical method with controlled discretization error. Among other significant methods to solve the BTE, the Cellular Automata methods, the Scattering matrix method, and the Spherical Harmonic method must be mentioned.

2.5  Carrier Transport

Current in a semiconductor is defined as the rate of flow of charge carriers. The flow of charge carriers called carrier drift is due to an externally applied electric field. The carriers move from a higher carrier density region to a

Basic Semiconductor and Metal-Oxide-Semiconductor (MOS) Physics

59

lower density region. This movement of carriers called diffusion is due to the thermal energy. The total current in a semiconductor is equal to the sum of the drift and the diffusion currents.

When an electric field is applied to a semiconductor, the electrostatic force causes the carriers to first accelerate due to the electrostatic field. Then due to collisions with impurities a constant average velocity, v, is reached. Mobility is defined as the average drift velocity per applied electric field. Saturation velocity is reached at high electric fields. Carriers along the semiconductor surface are subjected to surface scattering as a result of which the mobility degrades. Due to variation in doping density, a density gradient is created in the semiconductor due to which diffusion of carriers takes place.

Both drift and diffusion mechanisms are related because the same particles and scattering mechanisms are involved. This leads to the Einstein relation which is a relationship between the mobility and the diffusion constant.

2.5.1  Carrier Drift

The drifting of a carrier in a semiconductor on application of an externally applied electric field, E, is shown in Figure 2.8. Due to the applied bias the carriers move with an average velocity, v [1].

The current flowing through the semiconductor can be expressed as the total charge divided by the time taken to travel from one electrode to the other—that is,

I = Q/tr =

Q

(2.15)

L/v

 

 

I

v

E

V

L

A

FIGURE 2.8

Drift of a carrier due to an applied electric field.

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Technology Computer Aided Design: Simulation for VLSI MOSFET

where tr is the transit time of carrier, moving with velocity, v, covering the distance L. The current density, J, can be expressed in terms of the charge density ρ as

J = I/A =

Q

v = vρ

(2.16)

AL

 

 

 

Considering negatively charged electrons, the current density is given by

J = qnv

(2.17)

Considering positively charged holes, it is given by

J = qpv

(2.18)

where n and p are the semiconductor electron and hole density.

Due to scattering, the carriers move around the semiconductor randomly with a constantly changing path instead of a straight-line path along the electric field. This occurs when no electric field is applied externally and is due to the thermal carriers. Electrons in a non-degenerate electron gas have a thermal energy of kT/2 per particle per degree of freedom [1,19]. The typical thermal velocity is around 107 cm/s at room temperature, which is greater than the drift velocity in semiconductors. The movement of carriers in the semiconductor in the presence and absence of an electric field is shown in Figure 2.9.

When no external field is applied, the carriers move randomly with rapidly changing directions. On application of an external electric field, the holes move in the direction of the applied field, while the electrons move in the opposite direction.

The force on a carrier can be obtained from Newton’s law.

F = ma = m

d v

(2.19)

dt

 

 

 

 

E ≠ 0

E = 0

x

FIGURE 2.9

Random motion of carriers in a semiconductor with and without an applied electric field.

Basic Semiconductor and Metal-Oxide-Semiconductor (MOS) Physics

61

The force equals the difference between the electrostatic force and the scattering force. The scattering force equals the ratio of the momentum of the carriers to the average time between collisions, τ—that is,

F = qE m

v

(2.20)

τ

 

 

 

 

 

 

 

 

where q is the charge of a carrier particle.

 

 

 

 

Equating Equations (2.19) and (2.20):

 

 

 

 

qE = m

d v

+ m

v

(2.21)

 

 

τ

 

dt

 

 

 

The average particle velocity can be obtained from Equation (2.21). In steady state, the carrier particles after acceleration reach a constant velocity. In such a condition, the velocity of the particle is proportional to the externally applied electric field. The mobility is defined as the average velocity per applied field.

=

v

=

qτ

(2.22)

E

m

 

 

 

Mobility of a semiconductor particle is small when the mass is large and the time between collisions is small. In terms of mobility, the drift current density for electrons may be expressed as

Jn = qn nE

(2.23)

Similarly, the drift current density for holes may be expressed as

Jp = qp pE

(2.24)

considering the mass, m, of the semiconductor particle. But the effective mass, m*, rather than the free particle mass, m, must be considered for taking into account the effect of the periodic potential of the atoms:

qτ

 

= m*

(2.25)

2.5.2  Diffusion Current

Semiconductor devices fall into two broad categories: majority carrier devices and minority carrier devices. In the majority carrier devices, current flow is dominated by electric fiield driven current. In minority carrier devices, the current flow is dominated by the diffusion effects. Whenever

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Technology Computer Aided Design: Simulation for VLSI MOSFET

there is a gradient in the concentration of mobile particles, the particles diffuse from the regions of high concentration to the regions of low concentration. In addition to drift, this is the alternate mechanism that can lead to current flow. Suppose a drop of ink falls into a glass of water. Introducing a high local concentration of ink molecules, the drop begins to “diffuse”—that is, the ink molecules tend to flow from a region of high concentration to regions of low concentration. This mechanism is called diffusion. A similar phenomenon occurs if charge carriers are dropped into a semiconductor so as to create a non-uniform density. In the absence of an electric field, the carriers move toward regions of low concentration, thereby carrying an electric current so long as the non-uniformity is sustained. Diffusion is therefore distinctly different from drift.

The derivation is based on the idea that carriers at non-zero temperature (Kelvin) have an additional thermal energy equal to kT/2 per degree of freedom. Thermal energy drives the diffusion process. At T = 0 K there is no diffusion. Because thermal energy is random, the average value needs to be considered for deriving the diffusion current for a one-dimensional semiconductor [1].

Let the average values of the thermal velocity be vth, the collision time τ, and the mean free path l. The thermal velocity is the average velocity of the semiconductor carriers in the positive or the negative direction. The collision time is the time taken by the carriers to move with the same velocity before a collision occurs with another carrier. The mean free path is the average length a carrier moves between collisions. From this basic concept the thermal velocity is given by

vth = l/τ

(2.26)

In order to find an expression for diffusion current density, a variable carrier density n(x) is considered in Figure 2.10. The carrier densities of two

n

n(–l)

n(+l)

l 0 +l

x

FIGURE 2.10

Carrier density profile used to derive the diffusion current expression.