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Computational analysis of triangular

and honeycomb lattice-structured
tapered nanoholes for enhanced light
trapping in thin-film Si solar cells

Jolly Xavier, Christiane Becker

Jolly Xavier, Christiane Becker, "Computational analysis of triangular and

honeycomb lattice-structured tapered nanoholes for enhanced light trapping in
thin-film Si solar cells," Proc. SPIE 9140, Photonics for Solar Energy Systems
V, 91401B (15 May 2014); doi: 10.1117/12.2052800

Event: SPIE Photonics Europe, 2014, Brussels, Belgium

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 Computational analysis of triangular and honeycomb lattice-
structured tapered nanoholes for enhanced light trapping
in thin-film Si solar cells
Jolly Xavier* and Christiane Becker

Helmholtz-Zentrum Berlin für Materialien und Energie, Kekuléstr. 5, 12489 Berlin Germany

ABSTRACT

For an optimized light harvesting while using diverse periodic photonic light-trapping architectures in low cost thin film
crystalline silicon (c-Si) solar cells, it is also of prime importance to tune the features of their lattice point basis structure.
In view of this, tapered nanoholes would be of importance for envisaged better light in-coupling due to graded index
effect and also from the point of fabrication feasibility. Using a 3D finite element method based computational simulator,
we investigate the basis structural influence of triangular as well as honeycomb lattice-structured experimentally feasible
tapered air nanoholes in ~400 nm thick c-Si absorber on a glass substrate. We present a detailed convergence analysis of
volume absorption in Si absorber with cylindrical as well as tapered nanoholes. For a wavelength rage of 300 nm to 1100
nm, we present the computed results on light absorption of the engineered Si nanoholes for a lattice periodicity of600nm.
In particular, we study the influence of tapering angle of engineered nano air holes in Si thin film for the absorption
enhancement in photonic triangular and honeycomb lattice structured tapered nanoholes. Further we make a comparative
analysis of cylindrical and tapered nanoholes for a range of light incident angles from 0° to 60°. For the presented
triangular as well as honeycomb lattice structured nanoholes, we observe that in comparison to the cylindrical nanoholes,
the tapered nanoholes perform better in terms of light trapping for enhanced light absorption in textured Si thin films
even when the effective volume fraction of Si is lower in the absorber layer with tapered nanoholes in comparison to that
of cylindrical ones. From the maximum achievable short circuit current density estimation in the present study, the
performance of c-Si absorbing layer engineered with triangular lattice structured tapered air holes harvests light
efficiently owing to its higher lattice symmetry among periodic structures as well as graded index effect of the tapered
nanoholes.
Keywords: nanophotonic light trapping, finite element method, crystalline silicon, photonic crystals, thin-film solar cells

1. INTRODUCTION
In comparison to conventional thick crystalline silicon (c-Si) solar cells, thin-film c-Si solar cells are envisaged to use
much thinner layer of absorbing material than the absorption depth of c-Si itself [1]. Moreover, Si being an indirect
bandgap semiconductor, it has a lower absorption coefficient in the near infrared regime of desirable solar spectrum. So
efficient and optimized nanophotonic light trapping for thin-film c-Si solar cells is inevitable in order to effectively
increase the optical path length within the absorbing material in realizing the cost reduction of absorbing material
without compromising their optical absorption efficiency. Nanophotonic light trapping structures have been studied for
c-Si thin film solar cells as they significantly surpass the light path enhancement limit of geometrical ray optics [2] by
means of efficient optical coupling of the incident sunlight into the nanostructured thin-film absorber as well as a large
density of waveguide modes in the absorbing Si material [1, 3, 4]. Periodic nanophotonic structures being mostly
fabrication-friendly in concrete applications, molding the absorbing silicon material in diverse periodic lattice geometries
have been investigated to efficiently route and absorb the incident light [1, 3-9].

*jolly.xavier@helmholtz-berlin.de; phone +49 30 8062 41365; fax +49 30 8062 41333

Photonics for Solar Energy Systems V, edited by Ralf B. Wehrspohn,

Andreas Gombert, Proc. of SPIE Vol. 9140, 91401B · © 2014 SPIE
CCC code: 0277-786X/14/$18 · doi: 10.1117/12.2052800

Proc. of SPIE Vol. 9140 91401B-1

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 In textured thin film crystalline Si solar cells, it is also of prime importance to tune the features of their lattice
point basis structure in order to optimize the light trapping effects of periodically structured absorber layer. In view of
this, tapered nanoholes would be of importance for envisaged better light in-coupling due to graded index effect and also
from the point of fabrication feasibility [1, 4, 9-12]. In the present contribution, we investigate absorbing c-Si layer
textured with triangular and honeycomb photonic lattice-structured air holes in the medium. We use a 3D finite element
method based simulator and computationally investigate the basis structural influence of triangular as well as honeycomb
lattice structured experimentally feasible tapered air nanoholes in a 390 nm thick crystalline Si absorber on a glass
substrate. In section 2, we present a detailed convergence analysis of volume light absorption in c-Si absorber engineered
with cylindrical as well as tapered nanoholes with triangular lattice geometry. Subsequently in section 3, for a
wavelength rage of 300 nm to 1100 nm, we present the computed results on light absorption of the engineered Si
nanoholes for a lattice periodicity of 600 nm for varying side wall angles. Photonic crystals being easily scalable, the
present study could be easily applied to varying lattice periodicities as well. Further, for the presented lattice structures,
we make a comparative angular absorption analysis as well as maximum achievable short circuit current density
calculation for cylindrical and tapered nanoholes for a range of light incident angles from 0° to 60°.

2. CONVERGENCE ANALYSIS OF VOLUME ABSORPTION

As shown in Fig. 1, the optical model used here consists of c-Si layer of thickness, tsi = 390 nm with engineered air holes
with a lattice periodicity of 600 nm, is sandwiched between glass substrate on the bottom and air on the top. Neither any
antireflection layer nor back reflectors are considered in the present computational analysis. The diameter of the
cylindrical air holes is d = 377 nm. For the tapered air holes keeping the same Si thickness, we generate an offset to the
hole diameter (doff), with respect to the intended tapering angle (θta = 90- side wall angle) of the tapered surface, which is
then added and subtracted respectively to the top and bottom diameters of the cylindrical air hole. This effectively leaves
the diameter at the center of the tapered hole of inverted truncated cone shape equal to that of the original cylindrical air
hole. In particular we see the effect of the θta of the air holes in volume absorption in Si layer even when the volume
fraction of the Si is reduced as the volume fraction of air hole here is increased with an increased value of θta. For the
computational optimization of the triangular and honeycomb lattice structured air holes for enhanced light trapping in c-
Si absorbing layer we made use of a finite element package JCMsuite based on 3D space discretized simulation for
solving Maxwell's equations in complex materials [13-17].
L3

aid
(p) (3)
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Fig. 1. (a) Triangular lattice structured air holes etched in Si thin-film on a glass substrate. (b) Honeycomb
lattice structured air holes etched in Si thin-film on a glass substrate. (c) and (d) are the respective x-z planes.

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 The geometric model used here consists of x-y axis aligned hexagonal unit cell for the case of triangular lattice.
As shown in Fig. 2a-c, the finitely discretized computational domain mesh includes prisms and tetragons with a stacking
mesh generation in the longitudinal direction. Periodic boundary conditions are applied in the transverse (x-y) direction
of the computational domain, whereas using the adaptively perfectly matched layer (PML) the transparent boundary
conditions are applied in ±z direction [14]. The investigated Si absorbing layer on glass substrate is illuminated by a
plane wave from -z direction i.e. from the textured Si side. For the present computations, the transverse plane of the air
hole is approximated to a 16-sided polygon. The used finite element discretized mesh edge elements are typically of the
size of 120 nm such that they are always less than half the smallest wavelength (300 nm) of incident light to be scanned
for absorption measurements.

(a) (b) (c)

(d)
1.E +00 - t Rel errorforA=600 nm
f Rel errorforA=750 nm
1.E -01 -
-k-Rel errorforA=900 nm

1.E -04 -

1.E-05
0 1 2 3 4 5

p (Finite Element Degree)

Fig. 2. (a)-(c) Mesh grid schematic of triangular lattice structured Si film on a glass
substrate with cylindrical air holes on a glass substrate. (d) Convergence analysis
of volume absorption in c-Si thin film absorber given in the model (a) for three
different incident light wavelengths. Relative error is calculated in reference to the
solution of finite element degree of 6.

The time harmonic volume absorption is computed considering the complex valued permittivity of Si-Palik. For the
convergence analysis of the volume absorption in material for a given wavelength, we keep the initial finite element
mesh and increase the finite element polynomial degree (p). From the resultant analysis, a combination of mesh
parameters and p with efficient computational cost as well as needed accuracy are chosen for the subsequent
computations. A semi-logarithmic plot of the relative error in volume absorption in Si absorbing layer is given in in Fig.
2d, where the relative error is calculated in reference to the solution of finite element degree of 6. We have taken the
cases of volume absorption at three different wavelengths respectively λ = 600 nm, 750 nm and 900 nm. We could
observe the expected exponential convergence as seen in the plots. The computations were executed on a multi-core
computer using 15 cores and maximum required memory was below 35 GB for the present study. The convergence
analysis of the volume absorption in Si layer was then repeated for the case of tapered triangular lattice air holes in Si

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 with a θta of 15° as given in Fig. 3. In the next section we will be investigating the effect of varying θta on the optical
absorption in view of its importance in optimizing the textured absorbing layer in thin-film photovoltaics.
(a) (b) (c)

(d) tRel_erroratÀ=600 nm
1.E+00 - -0- Rel_erroratÀ=750 nm
-h- Rel erroratÀ =900 nm
1.E -01
o

1.E-04

1.E -05 -

1.E -06
0 1 2 3 4 5
p (Finite Element Degree)
Fig. 3. (a)-(c) Mesh grid schematic of triangular lattice structured Si film on a
glass substrate with tapered air holes with θta = 15. (d) Convergence analysis of
volume absorption in c-Si thin film absorber given in the model (a) for three
different incident light wavelengths. Relative error is calculated in reference to
the solution of finite element degree of 6.

3. TAILORED LATTICE BASIS STRUCTURE AND OPTICAL ABSORPTION ANALYSIS

In this section we study the influence of the lattice basis structure of the photonic triangular as well as photonic

r
honeycomb lattice structures in the optical absorption in textured Si layer.
(a) 4.09
-1
I, ,,
VII 1 -7.17
a

Fig. 4. Electric field intensity plots in log scale for triangular lattice structured Si absorber thin film (a)-(b) Electric field
intensity in Si lattice structured with cylindrical air holes respectively for wavelengths λ = 600 nm and 750 nm. Images are
respectively top x-y plane (left), x-y plane at a height of 200 nm below with in Si layer (middle) and centrally cut y-z plane
(right). (c)-(d) are respectively for lattice structured with tapered air holes with θta = 15.

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 (a)
90.00 %Abs_Planar
-%Abs Hexa_Cylindricalholes
holes_ata=O
eta=
80.00
holes_Bta= 15
70,00 - %Abs_Hexa_Taperedholes_Bta=25

60,00

C 50,00
O
Ç. 40,00
Ó
jj 30,00
ó0 20,00

10,00

0,00
300 400 500 600 7W 800 900 1000 11W
Wavelength, nm

40,00

35,00
f (b)
%Avg. Absorption
si_Volume traction_unit cell (x 10^40 1703)
20,00

18,00
X
16,00 a IC
C 30,00 O
14,00 IJ C
6 25,00 12,00 3 ry
ó
It 20,00 10,00'.
a
lb 15,00
8,00 ô
6,00 IC
ae 10,00
4,00
5,00
2,00
Ñ

0,00 0,00
o 10 15 20 25
Tapering Angle (O.),"
Fig. 5. (a) Optical absorption analysis of triangular lattice structured Si absorber of 390 nm thickness engineered with air holes of
varying tapering angle. A planar Si thin film of same thickness is also given as reference. (b) Analysis of influence of tapering
angle in the present lattice basis geometry on the volume fraction of Si absorber as well as on average optical absorption.
The geometrical model was already explained in the previous section. We compare our results for tapered air holes in Si
with that of Si absorber with cylindrical holes having a diameter of 377 nm.
70,00
a -%Abs Bta =O Inc. Angle =0
-%Abs_Ota = 0_Inc. Angle = 20
%Abs_Bta = 0_Inc. Angle =40
60,00
-%Abs_Ota = 0_Inc. Angle = 60

50,00

4000

S 30,00
Q
zo,00

10,00

0,00
300 900 500 600 700 800 900 1000 1100
Wavelength, nm
(b)
80,00
-% AbsBta = 15_Inc. Angle = 0
-% Abs__Bta = 15_Inc. Angle = 20
% Abs_Ota = 15_Inc. Angle = 40
70,00
-% Abs_Bta = 15_Inc. Angle = 60
60,00

C 50,00
O

a 40,00
Ó

á 30,00

20,00

10,00

500 600 700 800 1000 1100

Wavelength, nm
Fig. 6. Angular absorption analysis for the triangular lattice structured Si absorber layer. (a) Si
structured with cylindrical air holes (b) Si structured with tapered air holes.

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 As mentioned earlier, while varying the θta of the inverted truncated conical air holes we have kept the diameter at half
the thickness of the Si layer same as that of the cylindrical holes. In order to maintain that, an offset in diameter, doff =
tan(θta )*(tsi/2), is respectively added to the top diameter as well as subtracted to the bottom diameter of the cylindrical
air hole . In Fig. 4 we give the computed electric field intensity in x-y and y-z planes on a logarithmic scale for the Si
textured with cylindrical and tapered air holes respectively at wavelengths λ = 600 nm (Figs. 4a-b) and 750 nm (Figs. 4c-
d). A comparative analysis of optical absorption for varying θta is given in Fig. 5a, for a wavelength range of 300 nm to
1100 nm. A planar Si thin film with the thickness of 390 nm is also computed for the reference. As also seen from Fig.
5b, we could observe the graded index coupling effect stemming due to the increasing θta which in turn effectively
increases the optical absorption in Si, even when the effective volume fraction of Si is slightly reduced with increasing
θta. Light field coupling enhancement into the absorbing layer in the case of Si with tapered nanoholes is also seen from
the field intensity distributions given in Fig. 4 too. We carried out angular absorption study (Figs. 6a and 6b) of
triangular lattice structured Si absorber engineered with both cylindrical as well as tapered air holes for a varying
incident angle up to 60 ° for the incident plane wave.

t ¡
's-
7
.
3.76

_
. 1.
1
I-780

3.70

8.19
Fig. 7. Electric field intensity plots in log scale for honeycomb lattice structured Si absorber thin
film (a) Electric field intensity in Si lattice structured with cylindrical air holes for wavelength λ=
600 nm. Images are respectively top x-y plane (left), x-y plane at a height of 200 nm below with in
Si layer (middle) and centrally cut y-z plane (right). (b) Respectively for lattice structured with
tapered air holes with θta = 15.
Considering the importance of photonic honeycomb lattice in the field of photonic crystals [18], in the following part we
give an absorption analysis of Si thin film engineered with air holes arranged in this lattice structural geometry.

80,00 - - - -' % Abs_Pla na r

-% Abs_Honey_Cylindrical holes_8ta= 0
70,00 - - % Abs Honey_Cylindrical holes Stac 15
-%Abs Honey_Cylindrical holes Sta =25
60,00

50,00

C
O 40,00
. 30,00
a
a 20,00
e
10,00

0,00
300 400 500 600 700 800 900 1000 1100
Wavelength, nm
Fig. 8. Optical absorption analysis of honeycomb lattice structured Si
absorber of 390 nm thickness engineered with air holes of varying tapering
angle. A planar Si thin film of same thickness is also given as reference.

We considered a rectangular unit cell for the case of honeycomb lattice structure. Otherwise, the structural parameters
such as Si thickness, hole diameter etc. of the layer layout used in optical modelling here is same as that of the triangular
lattice structure dealt earlier. In Fig. 7, the computed electric field intensity distributions are given. The optical

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 absorption spectra are plotted in Figs. 8 and 9 for a wavelength range of 300 nm to 1100 nm. In the case of honeycomb
lattice structured air holes in Si absorber too, the effect of θta is clearly visible in absorption enhancement of in Si.

(a)
70,00 -% Bta =O lnc. Angle =0
-% Abs_eta a 0_Inc. Angle a 20
-. %Abs_eta = O_Inc. Angle a 40
60,00
-%Abs_Bta = 0_Inc. Angle = 60

50,00

C
ra 40.00

ó
30,00
4
20,00

10,00

0,00
300 400 500 600 700 800 900 1000 1100
Wavelength, nm
(b)
80,00 -% Abs_Bta = 15_Inc. Angle e 0
-% Abs_eta = 15_Inc. Angle a 20
% Abs Bta = 15 Inc. Angle r 40
70,00
-%Abs Bta 15_Inc. Angle r 60
60,00

CO 50,00

O. 40,00
Ó
VI

a 30,00

20,00

10,00

0,00
300 400 500 600 700 800 900 1000 1100
Wavelength, nm

Fig. 9. Angular absorption analysis for the triangular lattice structured Si

absorber layer. (a) Si structured with cylindrical air holes (b) Si structured
with tapered air holes.

Finally, in order to have a comparative glimpse on the performance of the hexagonal lattice structured air holes to those
of the honeycomb lattice structured air holes when they are engineered in c-Si absorbing layer, we calculated the
ultimate short circuit current density (jsc, ultimate) for a range of light incident angles from 0° to 60°. Here we assume that
each absorbed photon of the solar spectrum AM1.5g contributes on charge carrier [19]. For a given lattice structure we
have compared the cases of both cylindrical air holes and tapered air holes (θta = 15°). As shown in Fig. 10, for the given
structural parameters of the etched air holes, c-Si engineered with hexagonal lattice structured tapered air holes has an
upper hand on the maximum achievable short circuit current density.

4. CONCLUSION
We have investigated using a 3D finite element method based computational simulator, the lattice basis structural
influence of triangular as well as honeycomb lattice-structured experimentally feasible tapered air nanoholes in ~400 nm
thick c-Si absorber on a glass substrate. We have presented the computational convergence analysis of volume optical
absorption in Si absorber with cylindrical as well as tapered nanoholes. For a wavelength rage of 300 nm to 1100 nm, we
have presented the computed results on light absorption of the engineered Si nanoholes for a lattice periodicity of 600
nm. In particular, we have presented our results on the influence of tapering angle of engineered air holes in Si thin film
for the optimized absorption enhancement in triangular and honeycomb lattice structured tapered nanoholes. Further we
have presented a comparative analysis of cylindrical and tapered nanoholes for a range of light incident angles up to 60°.

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 tjsc,ulti_Bta = 15°_Hexa
16 - -i--jsc,ulti_Bta = 0°_Hexa
--jsc,ulti Bta=15°_Honey
---jsc,ulti_Bta = 0°_Honey
14

ry
12
--_ .-_--_ __
-- _ --- '---_ ______-- ---_____-___ __________<
_______
= ------- _
á10 11' ---'---- --------------a

É
8

6-

4
o 10 20 30 40 50 60
Incident Angle ( °)
Fig. 10. Estimated maximum achievable short circuit current densities (jsc)
for a range of incident angles. Neither anti-reflection layer nor back reflector
is considered here. Silicon deposition thickness = 390 nm.

For the presented triangular as well as honeycomb lattice structured nanoholes, we observe that in comparison to the
cylindrical nanoholes, the tapered nanoholes perform better in terms of light trapping resulting in an enhanced light
absorption in textured Si thin films even when the effective volume fraction of Si is lower in the absorber layer with
tapered nanoholes in comparison to the film with cylindrical air holes. From the maximum achievable short circuit
current density estimation in the present study, the performance of c-Si absorbing layer engineered with triangular lattice
structured tapered air holes harvests light efficiently owing to its higher lattice symmetry among periodic structures as
well as graded index effect of the tapered nanoholes.

ACKNOWLEDGEMENTS

Authors thank S. Burger, M. Hammerschmidt, D. Lockau, and F. Schmidt of ZIB, Berlin for the fruitful discussions.The
German Federal Ministry of Education and Research (BMBF) is acknowledged for funding the research activities of the
Young Investigator Group ‘Nano-SIPPE’ (Nanostructured SIlicon for Photonic and Photovoltaic ImplEmentations) at
HZB in the program NanoMatFutur (no.03X5520).

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