Analytical modelling for p-i-n structured

semiconductor devices
Cite as: AIP Advances 9, 025102 (2019); https://doi.org/10.1063/1.5045090
Submitted: 16 June 2018 . Accepted: 02 January 2019 . Published Online: 04 February 2019

Stephanie Reidt, and Bart E. Pieters

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AIP Advances 9, 025102 (2019); https://doi.org/10.1063/1.5045090 9, 025102

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 AIP Advances ARTICLE scitation.org/journal/adv

Analytical modelling for p-i-n structured

semiconductor devices
Cite as: AIP Advances 9, 025102 (2019); doi: 10.1063/1.5045090
Submitted: 16 June 2018 • Accepted: 2 January 2019 •
Published Online: 4 February 2019

Stephanie Reidt1,a) and Bart E. Pieters2

AFFILIATIONS
1
University of Siegen, Department of Electrical Engineering and Computer Science, Hölderlinstr. 3, 57076 Siegen, Germany
2
IEK5-Photovoltaik, Forschungszentrum Jülich, D-52425 Jülich, Germany

a)
email: stephanie.reidt@student.uni-siegen.de

ABSTRACT
An analytical model for illuminated p-i-n structures such as Solar Cells and related devices has been developed. Starting from
the semiconductor equations in their most general form, and introducing assumptions for the recombination and electrical field
functions, it is aimed at modelling not only the collection of photogenerated carriers but all transport mechanisms such as carrier
drift and diffusion. Using this model, the behaviour of thin film cells which is observed in operation is described in detail. This
includes the dependencies of I/V curves on temperature, insolation and spectral effects, and electronic materials properties. The
modeling of recombination effects results in a voltage dependent photocurrent where the carrier collection efficiency depends
on the bias voltage. This model allows for relatively fast calculation of I/V curves as it is computationally less extensive than full
device numerical simulations. Therefore it may be applicable for compact models i.e. in solar cell performance modelling.
© 2019 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license
(http://creativecommons.org/licenses/by/4.0/). https://doi.org/10.1063/1.5045090

I. INTRODUCTION solution of the diffusion equation shows ostensively how a

Analytical Modelling of semiconductor devices often pro-
vides highly useful insights into the underlying physics. This
is even more the case if the modelling results in a compact
or closed form analytical description that shows fundamen-
tal tendencies, and at the same time exhibits how the devices’
behaviour corresponds to its internal (material or construc-
tion) parameters, as well to the conditions of its operation.
As the semiconductor equations in their general form are
complex, they are solvable in closed form only when simplifi-
cations are introduced into the equation system. These need
to be selected so that they are well in accordance with the
properties of the materials described. For amorphous and/or
thin film materials, this is challenging as all transport and
recombination mechanisms play a role throughout the whole
structure, making it difficult to find effective simplifications.
Existing models for semiconductor devices mostly focus
on certain predominant mechanisms. For example, the well-
known Shockley diode I/V characteristics1 is derived from
minority carrier diffusion transport and recombination as
mechanisms that prevail in (mono-)crystalline materials. The
diode is in principle behaving (forward exponential function,
reverse saturation current) and how the behaviour is generally
determined by the diode’s parameters and operating condi-
tions such as temperature and external/terminal voltage.2 On
the other hand, deviations from the ideal I/V curve that result
from ohmic resistance, space charges, recombination or high
injection, are not visible.
Being focused on minority carriers, the Shockley model
does not couple the transport equations of majority and
minority carriers and thus it cannot properly describe recom-
bination in the space charge region where concentrations of
both carrier types are in the same order of magnitude. As
this applies in the same manner for the most part of the
i-layer, the Shockley diode equation is not particularly well
suited for describing p-i-n devices in general. In contrast,
models for amorphous silicon solar cells such as3–5 neglect
diffusion transport completely and solve the remaining semi-
conductor differential equation system which is then reduced
by one order for each charge carrier type, greatly facilitat-
ing the mathematical handling especially if recombination is
accounted for. The generation rate is assumed as constant

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throughout the structure, therefore, no spectral effects

appear. Not many material parameters are included in these
models so that their calculation of the open circuit voltage, for
instance, is not very reliable. A reverse saturation current is
not present in the models so that basic “diode” characteristics
are missing. All of the simplifying assumptions outlined above
are generally not applicable when it comes to p-i-n structured
devices, even more so if the employed material is micro- or
non-crystalline.
This work goes beyond these assumptions and most of
the limitations above, only slightly simplifying the primary
semiconductor equations, accounting for drift and diffusion
transport mechanisms. Using the practical example of a p-i-n
structured a-Si:H Solar Cell, this work describes the develop-
ment of an analytical model. We used device simulations with
Advanced Semiconductor Analysis (ASA) to verify the appro-
priateness of our assumptions throughout the derivation.
FIG. 1. Cross Section of p-i-n structured Solar Cell under investigation.
In section II we introduce the geometrical settings and
subsequently start with the standard drift/diffusion semicon-
ductor equations. A suitable function for the recombination structure of the considered device. The top layer consists
rate in n, p is then chosen. After this we apply a series of of p-doped a-Si:H and usually has a thickness of approx.
transformations in order to facilitate the further handling. 10 nm. Then follows an intrinsic layer of 300-400 nm thick-
The resulting differential equations are solved for sev- ness, where most of the absorption takes place, and the
eral assumed electrical field functions. The differential equa- bottom layer of the cell which consists of n-doped a-Si:H.
tions are used partly in a simplified form (version 2) which Within this structure, space charge regions exist almost
enables compact solutions for any given electrical field func- throughout the whole depth of the p and n layers which are
tion. For clarity, this is demonstrated for some E(x) functions very thin compared to the i layer, and therefore absorption in
that allow for closed form solutions of the occurrent integrals. the top and the bottom layer contributes very little to the pho-
For all variants of the system of differential equations under tocurrent and the solar cell performance. In addition, there are
consideration, a certain constant appears (KA ) that is pro- space charge regions in the i-layer adjacent to the p-i and i-n
portionally related to the total electrical current through the interfaces. All space charges evoke an electrical field inside the
device. device that is typically higher at the interfaces as trapping in
The I/V characteristics of the solar cell are simulated Dangling Bonds distorts the electrical field.6
in section III. The model is parametrized and the calculation The electrical field as a function of position is shown in
of the carrier concentration profiles by means of auxiliary Fig. 2 where curve (A) depicts a spatial function of the elec-
functions is explained. We then demonstrate the behaviour trical field as obtained from theoretical considerations and
of the model and how the simulated characteristics respond numerical simulations from other authors4,7,8 and our own
to environmental influences such as insolation and tempera- simulations carried out with the device simulator program ASA
ture. By comparing the model with results obtained with ASA, (Advanced Semiconductor Analysis).9 The electrical field has
we show that the model is well in accord with more detailed
models.
Due to the detailed approach, temperature, insolation
intensity and spectral effects are all accounted for. The model
calculates the dominant transport mechanisms, depending
on the depth in the i-layer. It shows a diode-like behaviour
including a reverse saturation current as much as devia-
tions from the “ideal” diode I/V characteristics, and a voltage
dependent photocurrent.

II. METHOD AND THEORY

A. Geometry
Solar Cells are a widely used application for p-i-n devices,
especially when non-crystalline materials are employed. This
work focuses on the simulation of a p-i-n solar cell structure
of amorphous silicon which is a commonly used and techni- FIG. 2. Spatial functions of electrical field E(x) (absolute value) and generation rate
G(x).
cally optimized structure for solar cells. Fig. 1 illustrates the

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a negative direction relative to the x axis. Curve (B) shows a
uniform electrical field which has often been used in analyti-
cal modelling such as in Refs. 3 and 10, as a constant function
greatly simplifies the handling of the semiconductor equa-
tions. It will also be employed for some simulations in this
work. Curve (C) depicts an approximation of (A). Both the uni-
form as well as the hyperbolic approximation will be used in
this work. The area below the respective curve equals the
voltage drop across the i-layer, V i . For V i we write
Vi = Vbi − V,
where V is terminal voltage of the cell, and V bi is the built-in
potential.
In this work we will solve the semiconductor transport
equations within the i-layer. The adjacent p and n-layers are
accounted for through boundary conditions for the charge
carrier concentrations at the edges of the i-layer.
Also in this figure, the generation function G(x) is shown.
G(x) is derived from the Lambert-Beer attenuation law and
therefore is represented by a decaying exponential function.
where G0 = Generation rate at the surface of the cell. G0 is
proportional to the insolation intensity and to the absorption
coefficient α.
C. The recombination function
Next, for recombination a suitable function of the carrier
concentrations needs to be chosen that represents the recom-
bination mechanisms well. Furthermore, it has to be consid-
ered that the chosen function will influence the form of the
resulting differential equations, and possibly, their solvability.
Fundamental considerations lead to a Shockley-Read type
of recombination function:12,13
n(x) · p(x) − ni2
R = R(x) =
τp · n(x) + τn · p(x)
where τ n , τ p are the (average) carrier lifetimes.
The complexity of this function however would compli-
cate the solution of the resulting differential equations. A lin-
ear law has been proposed by Refs. 14 and 15, relating to the
recombination behavior of dangling bonds:

B. Semiconductor equations n(x) p(x)

R = R(x) = + (4)
A model that takes into account both diffusion and drift τn τp
transport mechanisms can be formulated for the collective This R(x) function is linear in both n and p and not overly
charge carrier concentrations, i.e., not only for excess carriers complex. Yet the authors of Ref. 12 point out that in a strict
or photogenerated carriers. sense this relation is a good approximation when the field is
The current densities of electrons and holes in the one- uniform, as can be assumed, for example, for reverse bias.
dimensional case are described as:11 So the question remains if it is a good approximation under
dn positive terminal voltage, i.e. normal solar cell operation con-
jn = qµn nE + qDn (1a)
dx ditions. For this reason, we carried out device simulations
using the ASA program,9 which was designed to model in detail
and
dp all processes occurring inside the semiconductor materials,
jp = qµp pE − qDp (1b) including recombination rates.
dx
Continuity equations: Figure 3 depicts the spatial distribution of the generation
rate R(x) as calculated by ASA for a p-i-n-structured device of
1 djn
+G−R=0 (2a)
q dx
and
1 djp
− +G−R=0 (2b)
q dx
Substituting Eqs. (1a), (1b) into (2a), (2b), respectively they
become
d2 d
(Dn · n(x)) + µn (E(x) · n(x)) − R + G = 0 (3a)
dx2 dx
d2   d
2
Dp · p(x) − µp (E(x) · p(x)) − R + G = 0 (3b)
dx dx
q µn m
where β = kT and Dn = µn kT kT
q = β , Dp = mp q = β (Einstein
p

Relations).
Equations (3a) and (3b) are coupled via the recombina-
tion rate R that depends on carrier concentrations as well as
via E(x). G(x) also occurs in both equations, as it effects elec-
trons and holes in the same manner but irrespective of carrier
FIG. 3. Recombination rate profile according to the ASA simulations compared to
concentrations:
linear recombination law, at a forward bias of 0.5V and under STC illumination
G(x) = G0 e−αx , G0 = G0 (α), α = α(λ) (1000 W/m2 , AM1,5).

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 AIP Advances
amorphous silicon at a forward bias of 0.5V, which is near the
maximum power point of the considered cell. For the simula-
tion parameters we took a parameter set established by Liang
et al.16 We modified the parameter set slightly as we used
the defect-pool model of Powel and Deane from 199617 to
describe the spatial distribution of defects within the intrinsic
layer.
The simulated recombination rates with ASA include the
effect of the energy and spatial variation in defect density
according to the used defect pool-model. The recombination
rate profile is high at the p-i and i-n interfaces and drops in
between to an almost constant level that is one to two orders
of magnitude smaller than at the interfaces. The qualitative
behavior of recombination rate profile is reproduced by the
linear recombination model in Eq. (4). Note, however, that
without the impact of this spatial variation in defect density
according to the defect-pool model, Eq. (4) would be a rather
poor approximation of the recombination rate distribution.
We fit the carrier lifetimes τ n and τ p to reproduce the
recombination rate in the center of the i-layer by least squares
optimization. Fig. 4 depicts the fitted parameters τ n , τ p , in a
cell under STC conditions as a function of the applied termi-
nal voltage. We can observe the carrier lifetime is not con-
stant, however, the variation is within one order of magnitude,
i.e. the variation is small compared to the variation in carrier
concentrations as a function of the applied voltage.
The carrier lifetimes are related to the quality of the
a-Si:H layers.18 With decreasing τ values, the total recombi-
nation increases, reflecting deterioration of the semiconduc-
tor material which is represented by an increased density of
defect states, e.g. resulting from the Staebler Wronski effect.
Hence, charge carriers are increasingly likely to be trapped
and to recombine. The fitted carrier lifetime parameters’ mag-
nitudes are well in accordance with measurements in undoped
a-Si:H.19
Substituting the recombination rate from Eq. (4) into
Eqs. (3a) and (3b), they read as
FIG. 4. Fitted charge carrier lifetimes as functions of the terminal voltage.
AIP Advances 9, 025102 (2019); doi: 10.1063/1.5045090
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d2 d β β β
n(x) + β (E(x) · n(x)) − n(x) − p(x) = −G0 e−αx
dx2 dx µn τn µn τp µn
(5a)
d2 d β β β
p(x) − β (E(x) · p(x)) − p(x) − n(x) = −G0 e−αx
dx2 dx µp τp µp τn µp
(5b)
Due to the choice for the R function both electrons and holes
appear in both equations and they cannot be solved separately.
In the following these equations will be transformed in sev-
eral steps, such as scaling and linear combinations in order to
obtain a more compact form.
The mathematical transformations used for this purpose
and are detailed in Appendix A.
The system of Eqs. (5a) and (5b) leads to a third order dif-
ferential equation which is solvable under simplifying assump-
tions. Several solutions for special cases are deduced and
discussed. The investigated scenarios are:
• Solution of the 3rd order differential equation for uni-
form electrical field, see Appendix A 2 a;
• Simplification of the third-order ODE to a second-
order ODE, and its Solutions, see Appendix A 2 b
Furthermore, an integration constant is identified that is
a direct representation of the current density inside the cell
and therefore used for calculations of I/V characteristics in
the following chapters (see Appendix A 2 c).
III. PARAMETERS, RESULTS AND DISCUSSION
In the following we use a p-i-n structured amorphous
hydrogenated silicon solar cell as an example to demonstrate
how charge carrier concentrations and current densities can
be calculated by the method developed above.
For this purpose, we assume the geometric and mate-
rial properties of a real single cell operating under realistic
surrounding conditions in a close to realistic operation mode
(generator quadrant or dark forward operation, resp.).
A. Parametrization
For calculating I/V characteristics the model needs to be
parametrized. The required parameters are listed in Table I.
The electrical field function in the i-layer is a function of
the voltage over the i-layer V i . In case of the uniform field the
electric field is simply Ei = V i /d (d: thickness of the i layer),
in case the electric field is non-uniform, the function needs
to be scaled such that that its integral over the i-layer equals
V i , see for example, Appendix A 2 b with a hyperbolic field
function. The built-in Voltage usually has a value of approx.
1.0-1.2V, depending on the material properties.20
1. Boundary conditions
Whereas the above parameters are inserted into the dif-
ferential equations prior to their solving, the following four
parameters are boundary values that adjust the charge carrier
concentrations of majority and minority carriers at the edges
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TABLE I. Parameter list for the analytical p-i-n model and the corresponding values we use.

Parameter Value Remarks

Built-in Voltage (Vbi ) 1.05 V V bi (real cells) = 1.0-1.2V.20

thickness of p-layer 10 nm not directly relevant for simulation
thickness of i-layer 330 nm
thickness of n-layer 20 nm not directly relevant for simulation
Mobility electrons (i-layer): 2 Vs/cm2 16
Mobility holes (i-layer) 0.3 Vs/cm2
Lifetime electrons (averaged) 4.9e-6 s values taken from curve fitting
Lifetime holes (averaged): 1.1e-8 s results of section II C, Fig. 4

of the i-layer, and therefore serve to determine the integration Under illumination, the minority carrier concentrations
constants in the solutions for the auxiliary functions q and m. significantly increase as is expected, for example under
Reasonable assumptions need to be made. The carrier concen- 1000W/m2 AM1.5 spectrum insolation at a terminal voltage of
trations at the boundaries may either be directly obtained by 0V:
fitting experimental results or we may use values from our ASA electron concentration (minority carriers) at p-i interface
simulations. We use results from the ASA simulations as these n(xpi ) = 1e17m-3 = n0pi
are readily available to us. Table II lists the effective doping hole concentration (minority carriers) at i-n interface
and carrier concentrations at the p-i and i-n interfaces from p(xin ) = 2.4e17m-3 = p0in
the ASA simulations.
Since amorphous silicon material is considered here, For our simulations, we interpolate these values linearly
these effective doping values correlate with free charge car- with the insolation power from their respective equilibrium
rier concentrations that are several orders of magnitude values up to the ASA values at 1000 W/m2 , as real cells exhibit
lower. Hydrogenated amorphous silicon material possesses an almost linear dependence of photocurrent on insolation.
high densities of localized states in the mobility gap.21 Large Semiconductor theory predicts that under illumination, a sec-
amounts of charge carriers are trapped in localized states ond term needs to be superimposed that is proportional to
qV
in the band gap and thus cannot contribute to current exp 2kT , which is expectable for a high injection situation,
transport. and has a prefactor of ñi = 1e11m-3 . These results are consistent
Under non-equilibrium conditions, semiconductor theory with ASA findings.
indicates that the majority concentrations almost stay at their So we get for the boundary values:
equilibrium levels, which is the case in dark forward opera- !
tion mode, but also under realistic illumination levels up to G G qV
n(xpi ) = n0pi · + ñi · · exp
1000 W/m2 . Likewise ASA predicts only a very slight increase GAM1.5 GAM1.5 2kT
compared with the dark case. We use the majority carrier !
concentrations given in Table II for all simulations. G G qV
p(xin ) = p0in · + ñi · · exp
For the minority carriers, the situation is fundamentally GAM1.5 GAM1.5 2kT
different. In dark forward operation of the solar cell diode,
basic semiconductor theory indicates that these boundary val- B. I/ V characteristics
 qV 
ues are proportional to exp kT , V being the terminal volt- Appendix B details the calculation procedure for a speci-
age, which is well in accordance with ASA results so that this fied working point. On the basis of this procedure, the follow-
relationship will be used for our simulations. ing simulations have been carried out:
1. Simulations with uniform electrical field
TABLE II. Doping and equilibrium carrier concentrations at the p-i and i-n interfaces For the calculation of I/V characteristics two types of
according to the ASA simulations electrical field function have been chosen for investigation:
A uniform field for the third-order differential equation and
Parameter Value
a uniform or a hyperbolic function for the second-order
effective doping concentration, p-layer 1.19e25 m-3 differential equation.
effective doping concentration, n-layer 1.1e24 m-3 The insolation is accounted for in the form of the
Lambert-Beer attenuation law (Appendix A 1) or, alternatively
p-i interface
if it simplifies the mathematical evaluation, as a converging
hole concentration (majority carriers) 1.37e19 m-3
electron concentration (minority carriers) 6.7e3 m-3 Taylor series expansion of the exponential function. Losses
and gains resulting from refraction and reflection at the front
i-n interface
surface of the cell or at the back contact are not considered.
hole concentration (minority carriers) 52 m-3
Fig. 5 shows I/V characteristics of the illuminated cell for
electron concentration (majority carriers) 1.8e21 m-3
temperature variation:

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 AIP Advances
FIG. 5. Variation of temperature in illuminated I/V characteristics, 2nd or 3rd order
DE, uniform electrical field.
The I/V curves in Figs. 5 and 6 show the basically
expected behavior when varying the cell temperature or the
illumination power, as is observed in practice.
The fill factors of the 2nd order DE characteristics are rel-
atively high due to the fact that the 2nd order DE neglects a
part of the recombination processes in the cell, as the terms
comprising the factors a and b in Eqs. (A4a) or (A5b), resp.
are neglected. On these grounds the curves closely resem-
ble the Shockley exponential diode function, and therefore the
behavior of solar cells of low defect materials which possess a
smaller density of states in the bandgap that can be active as
recombination centers.
I/V characteristics calculated by means of the 3rd order
DE also show the expected behavior concerning cell temper-
ature and insolation power (Figs. 5 and 6). Compared to the
characteristics calculated from the 2nd order DE, it is obvious
FIG. 6. Variation of insolation in I/V characteristics, 2nd and 3rd order DE, uniform
electrical field.
AIP Advances 9, 025102 (2019); doi: 10.1063/1.5045090
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FIG. 7. Variation of parameter κ −1 proportional to the holes’ lifetime under constant
illumination - 3rd order differential equation compared to 2nd order DE.
that the short circuit current and the fill factor of the curves
are lower, due to the comprehensive recombination influ-
ences that the 3rd order equations include.
Appendix C details simulations with non-uniform electri-
cal field and spectral effects on the shape of simulated I/V
curves.
2. Effects of material degradation
The 2nd order DE (see Appendix A) does not account for
recombination in the same way as the 3rd order DE does (as
the influence of the parameters a, b or the coupling κ, see
Appendix A 1 and A 2 respectively has been neglected). Inves-
tigating more closely the effect of the coupling κ via the 3rd
order DE leads to the result that its value has a strong impact
on the fill factor, and at the same time, on short circuit current
and on the open circuit voltage as shown in Fig. 7.
The basic relation of carrier lifetimes to the fill factor has
been shown before.15 , 22
µ τ
An increasing value for κ or a decreasing κ −1 = µnp τpn means
that the carrier mobility and lifetime product becomes more
asymmetrical with the holes being the carriers with shorter
lifetime.
An identical reduction of both lifetimes, that of electrons
and holes, leads to a less lowered fill factor but to a signifi-
cant reduction of both short circuit current and open circuit
voltage.
C. Comparison with ASA calculation results and
speed
Finally we compare the results with ASA simulations. To
do so we take the irradiation dependent JV curves as calcu-
lated with ASA at 300K and determine effective parameters
for the analytical model assuming a uniform electric field. The
boundary conditions at the p-i and i-n interfaces are as before
in Section III A. We varied the total generation rate under
AM1.5, carrier lifetimes, mobilities, and the built-in potential.
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mechanisms. Temperature, insolation intensity and spectral

effects are demonstrated. A set of parameters is included that
directly or indirectly reflect the quality of the semiconduc-
tor material and can be adapted accordingly. Hence, it qual-
ifies for detailed calculations of the device in thermodynamic
equilibrium as well as for biased and/or illuminated operating
conditions.
The presented model was compared to device simulations
where we demonstrate we can accurately match the device
simulation results. Furthermore, we could show the model can
be efficiently evaluated with little computational effort.
The model can be applied to other materials than amor-
phous silicon partially in analogy with the presented example.
To achieve this, the electrical field function, the recombination
function, the material parameters and boundary conditions for
carrier concentrations need to be reviewed with respect to the
intended purpose, and revised according to specific needs.
FIG. 8. Variation of illumination from 0 to 1000W/m2 , this model. Future investigation of the model’s parameters’ behavior
when changing the operating conditions such as temperature
and illumination may show if it may be suited for quantitatively
TABLE III. Effective parameter values obtained from fitting the model to ASA accurate simulations, for example, curve correction proce-
simulations. dures23 with a similar accuracy as was shown in Ref. 24 for
application in crystalline cells.
Parameter Value

Generation rate @AM1.5 2.36e27 m-3 s-1 APPENDIX A

Electron lifetime 3.9e-6 s
Hole lifetime 2.9e-5 s 1. Transformations
Electron mobility 8.06e-6 m2 V-1 s-1
Hole mobility 5.98e-6 m2 V-1 s-
a. 1st transformation
Built in potential 0.984 V In a first step we rewrite the continuity equations (5a,
b) by uniting the constant β with the electrical field and the
carrier mobilities so that
In Fig. 8 we compare the results from the analytical model β · E = E1 ,
(lines) and ASA (dots). We achieve a good agreement of the
analytical model with deviations less than 3Am-2 . The used β 1
effective parameters are listed in Table III. = ,
µn µn1
As one of the reasons for using simplified models is a
reduced computational effort it is interesting to compare the
β 1
performance of the analytical model with ASA. It must be =
noted that such a comparison is rather complicated as one can µp µp1
only compare implementations and thus the results depend on and the system spells as
the quality of the code. In this case we compare the analytical
model, implemented in Matlab, with ASA, which is compiled C d2 n d 1 1 1 −αx
+ (E1 · n) − n− p = −G0 e
code. Our Matlab implementation outperforms ASA by about a dx2 dx µn1 τn µn1 τp µn1
factor 5.
d2 p d 1 1 1 −αx
IV. CONCLUSIONS AND FUTURE PROSPECTS − (E1 · p) − n− p = −G0 e .
dx2 dx µp1 τn µp1 τp µp1
A new model for the description of p-i-n structures has
been presented that is focusing on the charge carrier densi- b. 2nd transformation
ties and transport processes within the intrinsic layer. Even This transformation introduces a scaled length coordi-
though the calculations do not lead to a closed form I/V char- nate by multiplying with √µ 1 τn :
acteristics equation, the description is thoroughly analytical n1

and the tendencies the model shows are very well consistent x √ √ √
√ = x1 → dx = µn1 τn dx1 , E1 µn1 τn = E2 , α µn1 τn = α1
with the behavior of real cells. µn1 τn
The model presented above is capable of calculat-
ing charge carrier concentration profiles and current den- Thus the factor √µ 1 τn appears in almost all terms in the
n1
sity components for both drift and diffusion transport differential equations

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1 d2 n 1 d 1 1 1 (κ · n1 + p1 )00 + (E2 (κ n1 − p1 ))0 − 2κ(n1 + p1 ) = −2κ G0 e−α1 x1

+ (E2 · n) − n− p = −G0 e−α1 x1
µn1 τn dx1 2 µn1 τn dx1 µn1 τn µn1 τp µ̃n
and the appearance of linear combinations of n1, p1 suggests
that renaming them is of avail:
1 d2 p 1 d 1 1 1 −α1 x1
− (E2 · p) − n− p = −G0 e
µn1 τn dx1 2 µn1 τn dx1 µp1 τn µp1 τp µp1 κn1 − p1 = m,

This form suggests to expand the system by µn1 τn . The differ- κn1 + p1 = q
ential equations then become
and
d2 n d τn a = 1 − κ,
+ (E2 · n) − n − p = −G0 τn e−α1 x1
dx1 2 dx1 τp
b = 1 + κ.
d2 p d µ µ τn µ τn The system of equations may now be rewritten as
− (E2 · p) − n1 n − n1 p = −G0 n1 e−α1 x1 .
dx1 2 dx1 µp1 µp1 τp µp1
m00 + (E2 q)0 = 0 (A2a)
Next, the charge carrier concentrations are scaled with the
q00 + (E2 m)0 − a · m − b · q = −G1 e−α1 x1 , (A2b)
lifetimes τn , τp .
where 2κ G0 = G1 .
c. 3rd transformation The next step will be made with the objective of merg-
ing the above system of equations into only one differential
n = n1 · τn ,
equation with only one variable.
p = p1 · τp Equation (A2a) can be formally integrated and solved for
m‘ and m, respectively:
d2 n1 d τn
τn + τn (E2 · n1 ) − τn n1 − τp p1 = −G0 τn e−α1 x1 m0 + E2 q = KA ,
dx1 2 dx1 τp
KA : integration constant
d2 p1 d µ µ τn µ τn
τp − τp (E2 · p1 ) − τn n1 n1 − τp n1 p1 = −G0 n1 e−α1 x1
dx1 2 dx1 µp1 µp1 τp µp1 m0 = KA − E2 q (A3a)

Division by τn , τp , respectively yields and 

m = KA · x1 − E2 qdx1 + KB (A3b)
d2 n1 d
+ (E2 · n1 ) − n1 − p1 = −G0 e−α1 x1
dx1 2 dx1 after second integration.
Substituting m0 and m into equation (A2b) yields
d2 p1 d µ τn µ τn µ τn 
− (E2 · p1 ) − n1 n1 − n1 p1 = −G0 n1 e−α1 x1
q00 − E2 2 + b q − (E0 2 − a) E2 q dx1
 
dx1 2 dx1 µp1 τp µp1 τp µp1 τp
µn1 τn
When introducing the coupling κ = µp1 τp and writing the dif- = −G1 e−α1 x1 − KA E2 − (E2 0 − a)(KA x1 + KB ) (A4a)
0
ferential operator as the system of differential equations is which is an integro-differential equation corresponding to the
written in the more compact form: 3rd order differential equation
n001 + (E2 n1 )0 − (n1 + p1 ) = −G0 e−α1 x1 (A1a) q000 − E2 2 + b q0 + a · E2 q = a · KA + G1 α1 e−α1 x1
 
(A4b)
0 −α1 x1
p001 − (E2 p1 ) − κ(n1 + p1 ) = −κ G0 e (A1b) Note that so far no assumption for the electric field func-
As both equations have a similar form, linear combina- tion has yet been made and therefore, the above equation
tions of (A1a) and (A1b) appear to be advantageous and lead to describes the general, one-dimensional case, independent of
the 4th transformation. space charges.

d. 4th transformation 2. Solutions of the differential equation using

We now compose a new set of differential equations by simplifying assumptions
forming both the sum and the difference of equations (A1a) and a. Version 1: Solution of the 3rd order differential
(A1b): equation for uniform electrical field E2 (x) = const.
κ · (5a) − (5b) : κ · n001 − p001 + κ(E2 n1 )0 + (E2 p1 )0 = 0 The assumption E2 = const. leads to a special case which
greatly simplifies the form of the differential equations and
κ · (5a) + (5b) : κ · n001 + p001 + κ(E2 n1 )0 − (E2 p1 )0 − 2κ(n1 + p1 ) their solutions.
As discussed in section II A, the electrical field func-
= −2κ G0 e−α1 x1
tion inside a real cell is not uniform but exhibits maxima
or at the interfaces on both sides of the i-layer. In the mid-
(κ · n1 − p1 )00 + (E2 (κ n1 + p1 ))0 = 0 dle of the i-layer, though, there is a spacious region where

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r r
the electrical field varies only slightly and can therefore be 4P 1 Q −27 + π +
λ3 = − − · cos* · arccos*− −
assumed as almost constant. From this point of view, it makes 3 3 P3 - 3 -
, 2
sense to investigate the solutions of the problem with uniform
,
electrical field in the first step. Therefore the solution of the homogeneous differential equa-
With E2 = const. equations (A2a) and (A2b) become tion
qH (x1 ) = C1 eλ1 x1 + C2 eλ2 x1 + C3 eλ3 x1
m00 + E2 q0 = 0 (A5a) is influenced by the parameters E2 and κ and depends on the
q00 + E2 m0 − a · m − b · q = −G1 e−α1 x1 (A5b) actual operating point/cell voltage.
Next, the inhomogeneous differential equation needs to
By one-time differentiation of (A5b) and subsequent substitu- be solved:
tion of equations (A2a) solved for m00 and (A3a) solved for m0
into it the differentiated equation (A5b) it becomes q000 − (E2 2 + b)q0 + a · E2 q = a · KA + G1 α1 e−α1 x1

q000 − E2 2 q0 − b · q0 − a · (KA − E2 q) = G1 α1 e−α1 x1
or
q000 − E2 2 + b q0 + a · E2 q = a · KA + G1 α1 e−α1 x1 ,
 
(A5c)
resp., with all source terms on the right side.
Thus, assuming an uniform electrical field, a linear
3rd order differential equation with constant coefficients is
obtained. This is a solvable problem. The homogeneous equa-
tion is
q000 − E2 2 + b q0 + a · E2 q = 0
 
The particular integral can be found by using an ansatz cor-
responding to the functional type of the source term which
consists of a constant in addition to a term proportional to
e−α1 x1 :
qp = K1 + K2 e−α1 x1 → q0p = −α1 K2 e−α1 x1 , 3 −α1 x1
p = −α1 K2 e
q000
Substituting the derivatives into the inhomogeneous equation
yields
−α1 3 K2 e−α1 x1 − (E2 2 + b)(−α1 )K2 e−α1 x1 + a E2 (K1 + K2 e−α1 x1 )

and it has the complementary functions = a · KA + G1 α1 e−α1 x1

qn (x1 ) = C · eλn x1 , n = 1, 2, 3 then by comparison of coefficients follows

KA
where the parameters λn are the roots of the characteristic a E2 · K1 = a · KA thus K1 =
polynomial E2
λ3 − E2 2 + b λ + a · E2 = 0,
 
and
−α1 3 K2 + α1 E2 2 + b K2 + a E2 K2 = G1 α1
 
and therefore the general solution of the homogeneous differ-
ential equation is Subsequent solving for K2 this results in
qH (x1 ) = C1 eλ1 x1 + C2 eλ2 x1 + C3 eλ3 x1 K2 (−α1 3 + α1 (E2 2 + b) + a E2 ) = G1 α1
where λ1 , λ2 , λ3 are roots of the cubic equation above which or
can be calculated by means of the Cardanic Formulae.25 The G1 α1
K2 = .
present equation is already in the form of a depressed cubic as −α1 3 + α1 (E2 2 + b) + a E2
a term with the factor z2 is missing: Therefore the general solution to Eq. (A5c) is
3
z + Pz + Q = 0, qA (x1 ) = qH (x1 ) + qP (x1 ) = C1 eλ1 x1 + C2 eλ2 x1
KA
P = − E2 2 + b , + C3 eλ3 x1 + + K2 e−α1 x1
 
(A6)
E2

Q = a E2 . From the result for q(x) the function m(x) can be calculated:

The discriminant ∆ m0 (x1 ) = KA − E2 q(x1 ) →

!2 !3 m0 (x1 ) = −E2 C1 eλ1 x1 − E2 C2 eλ2 x1 − E2 C3 eλ3 x1 − E2 K2 e−α1 x1
Q P
∆= +
2 3 then we integrate with respect to x1 :
for which parameters we have is always negative and there- E2 E2 E2 E2
m(x1 ) = − C1 eλ1 x1 − C2 eλ2 x1 − C3 eλ3 x1 + K2 e−α1 x1 + KB
fore, three roots can be calculated which all are real: λ1 λ2 λ3 α1
r
The constant KB can be determined by substituting the solu-
r
4P 1 Q −27 + π +
λ1 = − − · cos* · arccos*− + tion functions q(x1 ), m(x1 ) into differential equation (A5b)
3 ,3 , 2 P3 - 3 -
KA −b
−b − aKB = 0 and hence KB = KA ,
E2 a E2
r r
4P 1 Q −27 ++
λ2 = + − · cos* · arccos*−
3 , 3 , 2 P3 -- so the solution for m(x1 ) is

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E2 E2 E2 E2 b For a uniform field function the ODE becomes

m(x1 ) = − C1 eλ1 x1 − C2 eλ2 x1 − C3 eλ3 x1 + K2 e−α1 x1 − KA
λ1 λ2 λ3 α1 a E2
(A7) q00 − E2 2 q = −KA E2 − G1 e−α1 x1 = g(x)
Boundary conditions are the effective (modified) doping con- and is easily solvable because of its constant coefficients:
centrations at x=0 and x=D which need to be transformed to
q and m values (see transformations 1-4 in chapter one). With KA G1 + α1 2 −α1 x1
the aid of four boundary conditions for the charge carrier con- q(x1 ) = qH (x1 ) + qP (x1 ) = C1 eE2 x1 + C2 eE2 x1 + + e
E2 E2 2
centrations n and p, the four constants C1 , C2 , C3 and KA can
be calculated from a system of linear equations: and
G1 + α1 2 −α1 x1 KB
KA m(x1 ) = −C1 eE2 x1 + C2 eE2 x1 + e +
q(0) = C1 + C2 + C3 + + K2 α1 E2 E2
E2
For a general (not specified) electrical field function the homo-
KA geneous equation is
q(D1 ) = C1 eλ1 D1 + C2 eλ2 D1 + C3 eλ3 D1 + + K2 e−α1 D1
E2 E0 2 0
q00 − q − E2 2 q = 0 (A11)
E2
E2 E2 E2 E2 b
m(0) = − C1 − C2 − C3 + K2 − KA This differential equation has two solutions which are valid for
λ1 λ2 λ3 α1 a E2
any chosen E(x) (or E2 (x1 )) function:
E2 E2 E2 E2 b
m(D1 ) = − C1 eλ1 D1 − C2 eλ2 D1 − C3 eλ3 D1 + K2 e−α1 D1 − KA q1,2 = e±Φ(x1 )
λ1 λ2 λ3 α1 a E2
where D1 is the thickness of the i-layer in transformed dimen- where: 
sions, or in a matrix notation: Φ(x1 ) = − E2 (x1 )dx1
1  In order to find the particular integral of the inhomogeneous
1 1 1

 E2  equation, the method variation of constants provides a solu-
 1   C1 
 eλ1 D1 eλ2 D1 eλ3 D1 tion. It requires the calculation of the Wronskian determinant
E2   C2 
 

 − E2 −
E2
−
E2
−
b   C3 
   q q   eΦ e−Φ 
λ1 λ2 λ3 a E2   KA 
  W =  01 02  =  Φ E e−Φ  = 2E2 , 0
 q
 1 q 2 −E
 2 e 2
 E2 λ D E2 λ D E2 λ D b  
 − e 1 1 − e 2 1 − e 3 1 −
λ1 λ2 λ3 a E2  as well as of the Wronskians with the first or second respective

 q(0) − K2 
 column replaced by (0, g(x)):
−α1 D1
 q(D1 ) − K2 e
   0 q2 
E2 W1 =  0  = −g(x1 )q2 = −g(x1 )e
−Φ
=

m(0) − K2 (A8)
 g(x1 ) q 2 

α1
 
E2

−α D
 m(D1 ) − α K2 e 1 1 

and
1 q 0 
W2 =  01  = g(x1 )q1 = g(x1 )eΦ
b. Version 2: Simplification of the third-order ODE to  q 1 g(x1 ) 
a second-order ODE, and its solutions so that

In case the terms with the factors a, b in equation (A5b) W1 g(x1 )e−Φ e−Φ
C1 (x1 )0 = =− → C1 (x1 ) = − g(x1 ) dx1
are small compared to the rest of the terms this means that W 2E2 2E2
recombination can be neglected and that equation (A5b) can
and
be simplified to 
q00 + E2 m0 = − G1 e−α1 x1 W2 g(x)eΦ eΦ
C2 (x1 )0 = =− → C2 (x1 ) = g(x) dx
Using this result we can formally integrate eqs. (A5a) and (A5b) W 2E 2E
and we obtain Whereas the solutions of the homogeneous ODE are influ-
m0 + E2 q = KA (A9a) enced by the function E2 (x1 ), both E2 (x1 ) and G1 (x1 ) are part of
re: Eq. (A3a) alternatively: (which is) mathematically equivalent the source term and therefore influence the particular inte-
to eq. (A3a) gral. So the general solution to the differential equation (A10)

is
q0 + E2 m = − G1 e−α1 x1 dx1 + KB (A9b)
Eq. (A9b) is solved for m, m and m0 are substituted into (A9a) q(x1 ) = qH + qP = C1 eΦ(x1 ) + C2 e−Φ(x1 )
 
E0 2 0 e−Φ eΦ
q00 − q − E2 2 q = −KA E2 − G1 e−α1 x1 − eΦ(x1 ) g(x1 ) dx1 + e−Φ(x1 ) g(x1 ) dx1 (A12)
E2 2E2 2E2

E0 2
!
− 2 − G1 e−α1 x1 dx1 + KB = g(x) (A10) Depending on the choice made for E(x) and G(x) the integrals
E2 for C1 (x1 ) and C2 (x1 ) may be solvable in closed form or else the

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resulting integrals may require a numerical or approximate and hence the homogeneous differential equation has the two
evaluation where needed, that is, usually at x1 =0 and x1 =D1 . solutions
In the following we will exemplify the solution of Eq. (A10) q1 (x1 ) = C1 eΦ(x1 ) = C1 x1 −A2
for a hyperbolic electric field distribution within the cell. For and
instance consider the function E(x) = A/x which corresponds q2 (x1 ) = C2 e−Φ(x1 ) = C2 x1 A2
to E2 (x) = A2 /x1 in transformed quantities. At the p-i interface The particular integral is
this function bears a resemblance to the E(x) function that can
A2 KA − KB 2g0 3/2g1 4/3g2
be expected in a real cell (see Fig. 2, curve C). qp (x1 ) = x1 + x1 2 + x1 3 + x1 4
The transformed exponential function G1 (x1 ) is approx- A2 2 − 1 A2 2 − 4 A2 2 − 9 A2 2 − 16
imated by the first three terms of its Taylor series: G1 (x1 ) and hence the complete solution is
= g0 + g1 x1 + g2 x1 2 so all functions involved here are power func-
tions which facilitates the integration. The power series need A2 KA − KB 2g0
q(x1 ) = C1 x1 −A2 + C2 x1 A2 + x1 + x1 2
to be chosen so that they converge well enough. A2 2 − 1 A2 2 − 4
For the given E(x) the function of the electrical potential, 3/2g1 3 4/3g2
Φ, is as follows: + 2 x1 + 2 x1 4 (A13)
 A2 − 9 A2 − 16
A2
Φ(x1 ) = − dx1 = −A2 ln(x1 ) The constants C1 , C2 , KA , KB are calculated from
x1

 A2 −1 
 xu −A2 x u A2 xu xu 
2
A2 − 1 2
A2 − 1    q(x1u ) − P2 x1u 2 − P3 x1u 3 − P4 x1u 4 

A2 −1   C1   2 3 4

 x −A2
o xo A2
xo xo     q(x1o ) − P2 x1o − P3 x1o − P4 x1o
2 2
A2 − 1   C2   A

 A2 − 1  
 A2 2 · =
A2 − 2   KA   −
  2
(
· m(x1u ) − (g0 + 2P2 ) · x1u + (g1 /2 + 3P3 ) · x1u 2 + (g2 /3 + 4P4 ) · x1u 3 
) 
 −A2 xu −A2 −1 A2 xu A2 −1   x1u
2 2  
A2 − 1 A2 − 1   K   A2 ( ) 
/2 2 + (g /3 + 4P ) · x 3 
 
2  B − · m(x 1o ) − (g 0 + 2P 2 ) · x1o + (g 1 + 3P 3 ) · x 1o 2 4 1o
 A2 A2 − 2    x1o 
 −A2 xo −A2 −1 A2 xo A2 −1 2 2

 A2 − 1 A2 − 1 

where Substitute eqs. (1a) and (1b) into eq. (A14a) we obtain
2g0 3/2g1 4/3g2 d2 d d2 
P2 = P3 = P4 =

2
, 2
, 2 2
(Dn · n(x)) + µn (E(x) · n(x)) − 2 Dp · p(x)
A2 − 4 A2 − 9 A2 − 16 dx dx dx
d
and the boundary values for m are applied via equation (A9b) + µp (E(x) · p(x)) = 0
dx
in the form 
Apply transformations 1 to 4 as introduced in chapter one:
E2 m = − G1 e−α1 x1 dx1 + KB − q0 .
( 2
d2 n1
)
d −1 d p1 d
+ (E 2 · n1 ) − κ − (E 2 · p1 ) =0
c. Relevance and meaning of the constant KA dx1 2 dx1 dx1 2 dx1
In the following we illuminate the background of the con- or
n001 + (E2 n1 )0 − κ −1 p00 1 − (E2 p1 )0 = 0
( )
stant KA that has occurred in all solutions to our differential
equations. multiplying with κ yields
Starting from equations (3a) and (3b), the subtraction of
both yields (κ · n1 − p1 )00 + (E2 (κ n1 + p1 ))0 = 0
1 djn 1 djp
+ =0 (A14a) m00 + (E2 q)0 = 0 (A2a0 )
q dx q dx
and This is again equation (A2a) as derived before. The constant
djn djp KA ensues from formal integration and is proportional to the
=− ,
dx dx current density in the cell
respectively.
This is equivalent to continuity of the current density dn dp
J = qµn nE + qDn + qµp pE − qDp (A14c)
throughout the device as dx dx
 which is (A14a) with (1a), (1b) substituted into it, then we apply
djn djp
!
+ dx =jn + jp = J = const. (A14b) transformations 1 to 3 which lead to the form of
dx dx ( ) J
n01 + E2 n1 − κ −1 p0 1 − E2 p1 = √
which is eq. (A14a) integrated with respect to x. q µn1 τn

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and then convert to m, q (transformation 4):

J·κ
m0 + E2 q = KA = √
q µn1 τn
Using this result the current density J can be calculated from
KA directly: √
q µn1 τn
J = KA (A14d)
κ
The implication of this is that for the calculation of an I/V
characteristics curve it is not necessary to determine all con-
stants but only the constant KA , in every point of opera-
tion. This may be implemented via the calculation of the
determinants W and W4 (Cramer’s rule):
  1  
1 1 1
  E2  
  1  
  eλ1 D1 eλ2 D1 eλ3 D1  
W =   E 2 
  − 2 E E 2 E 2 b  
− − −
λ1 λ2 λ3 a E2  
  
  E2 λ D E 2 λ D E 2 λ D b  
  − e 1 1 − e 2 1 − e 3 1 −
λ1 λ2 λ3 a E2  


  1 1 1 q(0) − K2  
 
e λ 1 D1 e λ 2 D1 e λ 3 D1 q(D ) − K e−α1 D1  
1 2
E E E E
   
W4 =   − 2 −
2
−
2
m(0) −
2
K2  
  λ1 λ2 λ3 α1  
  E2 λ1 D1 E2 λ2 D1 E2 λ3 D1 E2 −α1 D1  
−
  λ e − e − e m(D 1 ) − K 2 e
1 λ2 λ3 α1  

The constant KA can be calculated out of these:

W4
KA =
W

APPENDIX B
1. Example: Calculation of charge carrier
concentrations in a specified working point
The following simulations have been carried out solving
the 3rd order DE and using the parameters as specified above.
For demonstration of the calculation process, we examine a
working point at V = 0.6V which is near the Maximum Power
Point (MPP) of the considered cell.
In a first step we calculate the auxiliary functions q(x1 ) and
m(x1 ) the results of which are shown in Fig. 9a. The auxiliary
functions then undergo reverse transformations back to n(x)
and p(x) quantities applying the inverse of transformations 4,
3 and 2 (Section A.1, Appendix A). In Fig. 9b we show the car-
rier concentrations corresponding to the auxiliary functions
in Fig. 9a. From the charge carrier concentrations, current
components are calculated both for both drift and diffusion
transport (Fig. 9c).
Figure 9c demonstrates that in every x position, the
total current density as the sum of all current components,
is constant. Though the individual components can assume
very high values, far out of the depicted range, all current
densities add to the same value at any location in the cell,
FIG. 9. (a) Auxiliary functions m, q as calculated by 3rd order DE. (b) carrier
which is required by current continuity (see Appendix A 2 c,
concentrations n(x), p(x). (c) Current Components.
eq. (A14b)).

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APPENDIX C
1. Simulation with non-uniform electrical field:
Collection efficiency
The effect of a non-uniform electrical field may be
demonstrated using the 2nd order DE. We use the approach of
Appendix A 2 b/hyperbolic field function in combination with
the variation of constants method.
Fig. 10 demonstrates how the asymmetry of the electrical
field influences the charge carrier collection. In this example, a
small Emax /Emin ratio near 1 corresponds to an almost uniform
field function, whereas as the ratio increases, the function
assumes a more hyperbolical form with a pronounced peak at
the p-i interface:
The ratio of maximum and minimum field value was
obtained by shifting the field function in x direction, scal-
ing it on the whole by a proportionality factor as required by
the applied terminal voltage. Emax is the field value at the p-i FIG. 11. Variation of wavelength at constant irradiated power density, 3rd order DE.
interface whereas Emin is the electrical field value at the i-n
interface.
The short circuit current increases as generated charge
carriers near the p-i interface are influenced by a higher field
intensity and the collection efficiency of the generated charge
carriers increases in basically the same way as shown by other
authors.26

2. Effects of wavelength of irradiated light

The following simulations show how the developed model
responds to monochromatic insolation of different wave-
lengths, and their effect on the cell’s fill factor (fill factor
dispersion).
Figure 11 illustrates the effect of the wavelength of the
incident light on the cell characteristics. For the simulation of
this effect, the monochromatically irradiated power has been
kept constant.
As the absorption coefficient of blue light is significantly
higher than that of red or green light, the resulting short FIG. 12. Variation of wavelength at constant short circuit current, 3rd order DE.

circuit current is higher, though less photons are required

irradiating the same amount of energy per time per surface.
The wavelength of incident light has an effect on the fill
factor of the cell. If for each considered colour the photon
rate is adjusted so that the short circuit current is identical, it
becomes obvious that the form of the characteristics is vary-
ing as they diverge in the MPP region. Fig. 12 demonstrates
that the fill factor ist highest for blue light and lowers as the
wavelength increases.

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