232 | C H A P T E R 8 : T H E P L A S M A R E A C T O R I N T E R F A C E S

Pl as ma Re ac t or s T he or y
Note: This theory applies to the Capacitively Coupled Plasma, DC Discharge, Inductively
Coupled Plasma, and Microwave Plasma interfaces.
The electron density and mean electron energy are computed by solving a pair of
drift-diffusion equations for the electron density and mean electron energy.
Convection of electrons due to fluid motion is neglected. For detailed information on
electron transport see Theory for the Drift Diffusion Interface.
The electron source R
e
and the energy loss due to inelastic collisions R
c
are defined
later. If a strong DC magnetic field is present then the electron mobility can be a
tensor:
where the inverse of the mobility has been used because the actual expression for the
electron mobility cannot be written in a compact form. The quantity u
de
is the electron
mobility in the absence of a magnetic field. The electron diffusivity, energy mobility
and energy diffusivity are then calculated using:
The source coefficients in the above equations are determined by the plasma chemistry
and are written using either rate or Townsend coefficients. Suppose that there are M
t c
c
n
e
( ) V n
e
u
e
E - ( ) D
e
Vn
e
- | | + R
e
=
t c
c
n
c
( ) V n
c
u
c
E - ( ) D
c
Vn
c
- | | E I
e
+ + R
c
=
u
e
1
1
u
dc
-------- B
z
B
y
B
z
1
u
dc
-------- B
x

B
y
B
x
1
u
dc
--------
=
D
e
u
e
T
e
= u
c
.
5
3
---
\ .
| |
u
e
= D
c
. u
c
T
e
=
P L A S M A R E A C T O R S T H E O R Y | 233
reactions which contribute to the growth or decay of electron density and P inelastic
electron-neutral collisions. In general P >> M. In the case of rate coefficients, the
electron source term is given by
where x
j
is the mole fraction of the target species for reaction j, k
j
is the rate coefficient
for reaction j (m
3
/s) and N
n
is the total neutral number density (1/m
3
). When
Townsend coefficients are used, the source term becomes
where o
j
is the Townsend coefficient for reaction j (m
2
) and I
e
is the electron flux
(1/(m
2
s)). Townsend coefficients can increase the stability of the numerical scheme
when the electron flux is field driven as is the case with DC discharges.
The electron energy loss is obtained by summing the collisional energy loss over all
reactions:
where Ac
j
is the energy loss from reaction j (V). In the case of Townsend coefficients,
the energy loss is given by
The electron source and inelastic energy loss are automatically computed by the
multiphysics interface. The rate coefficients may be computed from cross section data
by the following integral:
R
e
x
j
k
j
N
n
n
e
j 1 =
M

=
R
e
x
j
o
j
N
n
I
e
j 1 =
M

=
R
c
x
j
k
j
N
n
n
e
Ac
j
j 1 =
P

=
R
c
x
j
o
j
N
n
I
e
Ac
j
j 1 =
P

=
k
k
co
k
c ( )f c ( ) c d
0

l
=
234 | C H A P T E R 8 : T H E P L A S M A R E A C T O R I N T E R F A C E S
where = (2q/m
e
)
1/2
(C
1/2
/kg
1/2
), m
e
is the electron mass (kg), c is energy (V), o
k

is the collision cross section (m
2
) and f is the electron energy distribution function. You
can choose between Maxwellian, Druyvesteyn, or a Generalized EEDF.
For non-electron species, the following equation is solved for the mass fraction of each
species. For detailed information on the transport of the non-electron species see
Theory for the Heavy Species Transport Interface.
The electrostatic field is computed using the following equation:
The space charge density, p is automatically computed based on the plasma chemistry
specified in the model using the formula:
For detailed information about electrostatics see The Electrostatics Interface.
p
t c
c
w
k
( ) p u V ( )w
k
+ V j
k
R
k
+ =
V c
0
c
r
V V p =
p q Z
k
n
k
k 1 =
N

n
e

\ .
|
|
| |
=
T H E O R Y F O R T H E C A P A C I T I V E L Y C O U P L E D P L A S M A I N T E R F A C E | 235
T he or y f or t he C a pa c i t i v e l y C oupl e d
Pl a s ma I nt e r f a c e
Capacitively coupled plasmas (CCP) represent a monumental challenge when it comes
to numerical modeling for the following reasons:
The method of power deposition into the plasma from the electric field is a highly
nonlinear process meaning that the problem must be solved in the time domain.
This requires the RF cycle to be accurately resolved over time. Since a capacitively
coupled plasma can take thousands of RF cycles to reach a periodic steady state
solution, it can take hours or even days for a problem to solve.
String electric fields which result in the plasma sheath can lead to very high Peclet
numbers. This means that the numerical scheme may become unstable unless the
mesh is sufficiently fine in the plasma sheath.
The external circuit connecting a CCP reactor to a power supply nearly always needs
to be included in the model.
Sharp geometric corners lead to substantial local electric fields which can result in
unphysical ion fluxes.
236 | C H A P T E R 8 : T H E P L A S M A R E A C T O R I N T E R F A C E S
T he or y f or t he DC Di s c har ge
I nt e r f a c e
The theory relating to this interface is detailed in this section and includes these topics:
Introduction to DC Discharge Theory
DC Discharge Interface Boundary Conditions
Tips for Modeling DC Discharges
Introduction to DC Discharge Theory
Due to the complexity of coupling the electrostatic field to the transport of electrons
and heavy species, the Plasma Module provides this multiphysics interface specially
designed for DC discharges. The complicated coupling between the electron
transport, heavy species transport, and electrostatic field is handled automatically by
the software. Furthermore, the secondary emission flux from ion bombardment on an
electrode is automatically computed and used in the boundary condition for electrons.
This makes it easy to model things such as positive columns and DC glow discharges.
The physics of DC discharges can be further complicated when a strong, static
magnetic field is present. This can lead to highly anisotropic transport properties for
the electrons. The DC discharge multiphysics interface automatically computes the
tensor form of the electron mobility if requested. This makes it possible to model
things such as magnetron discharges and hall thrusters. DC discharges require reaction
rates to be specified in terms of Townsend rather than rate coefficients. The main
reason is that Townsend coefficients provide a better description of the physics in the
cathode fall region. The discharge is sustained by secondary emission, rather than a
time varying electric field. Therefore, secondary emission effects must be included in
any DC discharge model otherwise the plasma simply self extinguishes.
It is important to be aware of the different time scales at which the components of a
plasma can change:
TABLE 8-1: TABLE OF VARIOUS TIME SCALES IN A PLASMA
PHENOMENA TIME SCALE
Electromagnetic field propagation Instantaneous
Electron energy < 1 ns
T H E O R Y F O R T H E D C D I S C H A R G E I N T E R F A C E | 237
DC Discharge Interface Boundary Conditions
Since secondary emission effects are vital in sustaining DC discharges. Therefore the
boundary conditions play an important role in DC discharges. The secondary emission
flux for electrons is defined as:
Additionally, the secondary emission energy flux requires that the mean energy of the
secondary electrons are specified:
The secondary emission fluxes are automatically computed by the DC Discharge
interface when you add surface reactions to a model. The mean electron energy of the
emitted electrons, c
k
is typically a function of the ionization energy of the impinging
ion and the work function of the surface:
where Ac
k
is the ionization energy (eV) and W
f
is the work function of the surface (eV).
On dielectric surfaces, charge accumulates due to the difference in fluxes between the
electrons and ions:
where J
i
is the normal total ion current and J
e
is the normal total electron current.
The surface charge density, p
s
is used as a boundary condition in the electrostatics
physics interface:
Electron transport nanoseconds
Ion transport microseconds
Excited species transport milliseconds
Neutral gas flow 10s milliseconds
TABLE 8-1: TABLE OF VARIOUS TIME SCALES IN A PLASMA
PHENOMENA TIME SCALE
n I
e s .

k
I
k
n ( )
k 1 =
N

=
n I
c s .

k
c
k
I
k
n ( )
k 1 =
N

=
c
k
Ac
k
2W
f
=
t d
dp
s
n J
i
n J
e
+ =
238 | C H A P T E R 8 : T H E P L A S M A R E A C T O R I N T E R F A C E S
Tips for Modeling DC Discharges
There are a number of key points to consider when modeling DC discharges:
Townsend coefficients should be used in preference to rate coefficients if possible.
Townsend coefficients give a more realistic description of cathode fall regions in DC
discharges.
Secondary emission from a surface bombarded by ions must be included somewhere
in the model in order for the discharge to be sustained.
Although a DC discharge ultimately reaches a steady state condition, the problem
must be solved as a time dependent problem so the plasma can naturally evolve into
its equilibrium state.
The initial conditions should enforce the electroneutrality constraint.
n D p
s
=
T H E O R Y F O R T H E I N D U C T I V E L Y C O U P L E D A N D M I C R OWA V E P L A S M A I N T E R F A C E S | 239
T he or y f or t he I nduc t i v e l y Coupl e d
and Mi c r owav e Pl as ma I nt e r f ac e s
The theory relating to this interface is detailed in this section and includes these topics:
Introduction to Inductively Coupled Plasmas
Domain Equations
Plasma Reactor Electromagnetic Theory
Introduction to Inductively Coupled Plasmas
Inductively coupled plasma (ICP) reactors are important in plasma processing and
plasma sources because the plasma density can be considerably higher than in
capacitively coupled discharges. ICP reactors are also attractive from the modeling
perspective because they are relatively straightforward to model. Inductively coupled
plasmas are relatively straightforward to model due to the fact that the induction
currents can be solved for in the frequency domain. This means that the RF cycle
applied to the driving coil does not need to be explicitly resolved. As such, the quasi
steady-state solution is reached in relatively few time steps.
Domain Equations
The Inductively Coupled Plasma interface solves a system of coupled partial
differential equations for:
The electron density
The mean electron energy
The mass fraction of each of the heavy species
The electrostatic potential
The electric field due to induction currents
See also Plasma Reactors Theory for more information.
For a nonpolarized plasma, the induction currents are computed in the frequency
domain using the following equation:
jeo e
2
c
0
c
r
( )A V u
0
1
V A ( ) + J
e
=
240 | C H A P T E R 8 : T H E P L A S M A R E A C T O R I N T E R F A C E S
For detailed information on modeling magnetic fields see The Magnetic Fields
Interface in the AC/DC Users Guide.
Wave Heated Discharge Theory
Wave heated discharges usually fall into one of two categories: discharges with no
external DC magnetic field and discharges with a high intensity static magnetic field.
If a suitably high DC magnetic field is present then electron cyclotron resonance
(ECR) can occur where electrons continually gain energy from the electric field over
1 RF period. Modeling microwave plasmas involves solving equations for the electron
density, mean electron energy, heavy species, the electrostatic potential, and the high
frequency electric field. The high frequency electric field is computed in the frequency
domain and losses are introduced via a complex plasma conductivity.
Note: In COMSOL the absorption of electromagnetic waves must be realized
through a complex electrical conductivity. It is not possible to specify a complex
permittivity. The microwave plasma interface automatically computes the plasma
conductivity for you based on the electron density, collision frequency and any
external DC magnetic flux density that is present.
Domain Equations
The wave heated discharge solves a system of coupled partial differential equations.
In a microwave reactor the high frequency electric field is computed in the frequency
domain using the following equation:
(8-3)
For more information see Plasma Reactors Theory and Plasma Reactor
Electromagnetic Theory in this guide and The Electromagnetic Waves Interface in the
RF Module Users Guide.
u
r
1
E V ( ) V k
0
2
c
r
jo
ec
0
---------
\ .
| |
E 0 =
T H E O R Y F O R T H E I N D U C T I V E L Y C O U P L E D A N D M I C R OWA V E P L A S M A I N T E R F A C E S | 241
Plasma Reactor Electromagnetic Theory
The relationship between the plasma current density and the electric field becomes
more complicated in the presence of a DC magnetic field. The following equation
defines this relationship:
where o is the plasma conductivity tensor which is a function of the electron density,
collision frequency and magnetic flux density. Using the definitions:
where q is the electron charge, m
e
is the electron mass, n
e
is the collision frequency,
and e is the angular frequency of the electromagnetic field, the inverse of the plasma
conductivity can be written as:
where B is the magnetic flux density which has three components B
x
, B
y
, and B
z
. The
inverse of the plasma conductivity is used because it can be written in a compact,
convenient form. The plasma conductivity is a highly nonlinear function of the
magnetic flux density. The conductivity exhibits resonant behavior at a critical
magnetic flux density given by the simple formula:
At this critical magnetic flux density the electrons continually gain energy from the
electric field at all phases of the RF cycle. This principle, called electron cyclotron
resonance is exploited in ECR reactors.
o
1
J - E =
o
q
m
e
v
e
je + ( )
------------------------------ - . n
e
qo = =
o
1
1

---
o

---B
z

---B
y
o

---B
z
1

---
o

---B
x

---B
y

---B
x
1

---
=
B
res
m
e
e
q
------------ =
242 | C H A P T E R 8 : T H E P L A S M A R E A C T O R I N T E R F A C E S