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Modeling and optimization of high index contrast 
gratings with aperiodic topologies
SPIE Optical Metrology 2013
Modeling Aspects in Optical Metrology IV
Milan Maksimovic
Focal‐Vision & Optics 
Oldenzaal, The Netherlands
Modeling Aspects in Optical Metrology IV, 
SPIE Optical Metrology, 
Munich, Germany, 13‐14. May, 2013
2
Outline
• Introduction
– What is  High Contrast Grating ?
• Modeling methods (brief  outline)
– Standard rigorous and selected approximate methods
• Motivation and central question:
– Tailoring spectral response of HCG via optimization
– How to generate complex (aperiodic) unit cell topology ?
• Selected examples obtained by numerical simulations:
– Spectral response under different   complex unit cell topologies
• Concluding remarks  and (some) open questions
Introduction
High‐Contrast Grating: high index (bars) medium grating  fully immersed in low index medium
Periodic sub‐wavelength structure: period smaller than the wavelength of the incident  wave
Applications:
• Ultrathin broadband reflectors for VCSEL (replacement for DBR reflectors)
• High‐Q resonator mirrors
• Resonant  polarization sensitive filters and beam splitters
• Planar flat focusing mirrors (wavefront shaping)
• Hollow core waveguides (ultracompact optical coupler and filters)
• ….
• Superstrate and substrate are simple low index media (air)
• Refractive index is real and frequency independent 
• Only zero‐th diffraction  order is propagating
Recent review ref.:  Adv. Opt. Photon.  4, 379‐440 (2012).
3
4
High‐Contrast Gratings: modeling using
RCWA/FMM 
• RCWA/FMM
– All quantities expanded in Fourier series,..
• Other rigorous  numerical methods
– FEM
– FDTD
– …
   2
( ) 2
1
, ,TE TM zx z x z
k
    L
 2 2
2
1
TE x n x
k
  L  
 
 2 2
2 2
1 1
TM x xn x n x
k n x
   L
Decomposition:
TE (with Ey ,Hx,Hz )  & TM (with Hy ,Ex,Ez ) ‐>
leading  non‐null components Φ(x,z) ‐ either Ey or Hy
( , ) ( ) ikz
x z x e 
  ( ) ( ) ik
x x e 
   
 
2
( ) ( ) ( )TE TM x r x L
Outside the grating  filed is expanded in finite 
number  of propagating and evanescent waves!
Eigenvalue problem, pseudo‐periodicity,… sin 
Grating Parameters:
Λ ‐ period 
η ‐the duty
tg ‐ grating height
n(x) ‐ refractive index
Plane Wave Excitation: 
Θ‐incidence angle 
k0=2π/λ – wave number
5
High‐Contrast Gratings:
modeling theories/methods 
• Coupled (Bloch) Mode Theory:  
– Periodic waveguide‐array modes as an expansion basis
– Several modes are excited in the wavelength range of interest
– Coupling of waveguide‐array modes at interfaces
– Dual‐mode regime responsible for most of novel phenomena:
(destructive/constructive ) interference between modes
• Effective Medium Theory:
– Assumes single propagating mode: does not capture resonant 
phenomena in the intermediate regime!
• HCG as an Photonic Crystal
– photonic bands originate from the “resonance” of the HCG supermodes,…
• HCG  as an open resonant system 
– response in terms of resonant excitation of “leaky” modes 
Scattering matrix: 
Resonance representation of the scattering 
matrix (complex poles /zeros) decomposition
Spectral features =
Non‐resonant background + 
Pole/zero resonance 
contribution
P. Lalanne,  et. al. , J. Lightwave
Technol.  24, 2442 (2006).
V. Karagodsky , et al.  Opt. Express  
20, 10888‐10895 (2012).
…..
Adv. Opt. Photon.  4, 379‐440 (2012)
High‐Contrast Gratings:
simple unit cell
HCG with the: 
period  Λ=0.716μm, 
duty cycle η=0.7,
height tg=140nm, 
ng=3.48,n0=1; 
HCG with the: 
period  Λ=0.140μm,
duty cycle η=0.3548,  
height tg=1494nm, 
ng=3.2,n0=1; 
Adv. Opt. Photon.  4, 379‐440 (2012).
HCG  with spectral response optimized for broadband high reflectivity or high‐Q resonances
Broadband reflectivityHigh‐Q resonances
7
HCG exhibiting high‐Q resonances:
simple unit cell
Deep subwavelength regime
Near-wavelength regime
Diffraction regime
Interference of  small number of waveguide‐array 
modes responsible for reflectivity  pattern in “near‐
wavelength” regime!
HCG with the: 
period  Λ=0.716μm, 
duty cycle η=0.7,  
height tg=1.494μm, 
ng=3.48,n0=1; 
TE‐polarization 
8
Spectral response tailoring:
how to generate unit cell topology?
Spectral response : resonances positions, number and shape, etc. 
Initial design : one that already possesses desired (spectral ) 
features → reduction of  computational burden in design and 
optimization tasks!
Fundamental  grating parameters for optimization of spectral 
response (simple unit cell)
• period, thickness, duty cycle
Extended feature/parameter set (complex unit cell)
• transition points in the unit cell
• symmetry of the unit cell 
How to generate initial unit cell topology?
• Perturbations (“defects”) of the simple unit cell
• Randomly generated  transition points
• Deterministic aperiodic sequence 
OPTIMIZATION OF SPECTRAL RESPONSE
1. Initial  parameters:
excitation + structure
2. Computation: 
1. Spectral Response
2. Merit Function + Constraints
3. Stop or Modify parameters and repeat 2.
4. Final Design  
OPTIMIZATION (2 step approach)
1. Optimize structure with the simple unit cell
2. Generate  new complex  unit cell topology 
(global parameters fixed)
3. Re‐optimize spectral response with 
complex  unit cell topology
4. Final Design
9
HCG with the unit cell  topology  
derived from perturbations
Refractive index profile for:
a) basic unit cell;  b)‐ c) symmetrically perturbed unit cell; d) asymmetrically perturbed unit cell
1) Start with the simple unit cell (defined transition points)
2) Generate new transition points by the “cut and split”  procedure
3) Transition points shift: Δx=pηΛ=pLH
4) Parameter p controls the strength of perturbation
xxxxxxxxxxxx c
p
c
ppp
 43
0
22
0
11 ,,,
xxxxxxxxxxxxx pppp
 2/,2/,, 0
1
0
26,5
0
13
0
22
0
11
    Hc Lpxxpxxxx  0
1
0
2
0
2
0
1 ,2/
0
1x 0
2x
1
p
x
cx
2
p
x3
p
x 4
p
x
ηΛ=LH
Λ
10
HCG exhibiting broadband high reflectivity :
symmetric perturbation of the unit cell
Example HCG optimized for broadband reflectivity
Symmetric perturbations :
• Spectral shape does not change (no 
resonances)! 
• Bandwidth and central wavelength shift
Unit cell  perturbations by “cut and split” procedure
HCG with the: 
period  Λ=0.620 μm, 
duty cycle η=0.3548,  
height tg=0.140 μm, 
ng=3.2,n0=1; TE‐
polarization 
HCG exhibiting broadband high reflectivity :
field localization
|Ey| |Hy| @ resonance
12
HCG resonances  with  the symmetric 
and asymmetric perturbations of the unit cell
Transition points shift: Δx=pηΛ
a) p=0.025
b) P= 0.05
c) p= 0.075 
d) p=0.1
HCG with the: period  Λ=0.620 μm, duty cycle η=0.3548,  height tg=0.140 μm, ng=3.2,n0=1; TE‐polarization 
a)
b)
c)
d)
• Symmetry breaking  ‐> spectral  resonances! 
• Excitation of previously non‐excited modes…
13
HCG exhibiting broadband high reflectivity :
resonances under the oblique incidence
• Resonances (spectral reflectivity  “anomalies”) appear under the oblique incidence!
• Higher  diffraction order(s)  become(s) propagating under the oblique incidence!
HCG with the: period  Λ=0.620 μm, duty cycle η=0.3548,  height tg=0.140 μm, ng=3.2,n0=1; TE‐polarization 
14
HCG reflectivity: the symmetric 
and asymmetric perturbations of the unit cell
Spectral reflectivity :   periodic structure (left), symmetrically perturbed structure with parameter p=0.1 
(middle) and asymmetrically perturbed structure with the parameter p=0.1 (right)
Symmetry breaking ‐> 
split in the parameter 
space!
HCG reflectivity: randomly generated
(asymmetric) transition points within unit cell
15
• Transition points in the unit cell generated from uniform distribution in the interval (0,1)
• Total  thickness constrained to be within 1%  difference from the  initial unit cell
Resonances interaction ‐> crossing and anti‐crossing signature!
16
HCG exhibiting high‐Q resonances:
symmetrically perturbed  unit cell
Reflectivity for a symmetrically perturbed structure with p=0.1 (solid) and unperturbed structure (dashed)
Filed localization: 
“hot spots”
in the free space 
between grating bars!  
Resonant line shape:  Lorentzian ↔ Fano type!
Unit cell symmetry preserved  under perturbation!
HCG with the: 
period  Λ=0.716μm, 
duty cycle η=0.7,  
height tg=1.494μm, 
ng=3.48,n0=1; 
TE‐polarization 
|Ey| @ resonance
17
HCG exhibiting high‐Q resonances:
asymmetrically perturbed  unit cell
Original structure 
operates  in the “deep” 
subwavelength regime! 
Symmetry breaking in the 
unit cell enables 
excitation of resonances!
|Ey|  close to resonances 2.6966,  2.9337, 3.107  respectively.
Spectral reflectivity for periodic (dashed) and 
asymmetrically perturbed structure (solid) Angular dependence at resonance!
18
a) basic periodic structure
b) scaled structure according to 3rd
generation of Thue-Morse
sequence
c) scaled structure according to
“deformed” 4th generation of Thue-
Morse sequence
HCG unit cell transition points 
deterministically generated from aperiodic sequence
Photonic aperiodic superlattices ( photonic quasi‐crystals) offer rich variety of complex patterns…
Aperiodic sequence of letters over finite alphabet:
• Associate letters of the sequence with the high‐ or low‐ index material  (H) and (L)
• Example: Thue‐Morse (model aperiodic) sequence formed by substitutions  L→LH  and H → HL
• Several first generations ( initiator L):      L, LH, LHHL, LHHLHLLH,….
Generate transition points by re‐scaling  simple unit cell (initial) structure:
1. Start with initial simple unit cell: η‐duty cycle, Λ –period 
2. Select generation (n) with the NH=NL=2n (number of letters in the sequence) 
3. Scaled (normalized) thicknesses:  lH=η/NH and lL=(1‐η)/NH
4. Generate transition points according to chosen sequence (repeated letters interpreted as double thicknesses)
19
HCG reflectivity:
3rd generation Thue‐Morse sequence based unit cell
• Additional resonances not present in the simple unit cell HCG
• Localization of  field (“hot spots”) outside the grating bars
• Resonances moved into the (previously) deep subwavelength
domain
HCG with the: 
period  Λ=0.716μm, 
duty cycle η=0.7,  
height tg=1.494μm, 
ng=3.48,n0=1; TE‐
polarization 
HCG reflectivity  for “perturbed” 3rd generation 
Thue‐Morse sequence based unit cell
HCG with the: period  Λ=0.620 μm, duty cycle η=0.3548,  height tg=0.140 μm, ng=3.2,n0=1; TM‐polarization 
21
• Hierarchical fragmentation of the spectral response
• Increasing the number of resonances in the given spectral range
• Unit cell symmetry switches between subsequent generations
• What is the largest generation number accessible subject to   fabrication resolution and tolerances? 
HCG reflectivity  for 3rd &  “deformed” 4th generation 
Thue‐Morse sequence based unit cell
• Regular  aperiodic structure ‐> generated according to deterministic aperiodic  sequence
• Deformed aperiodic structure ‐> re‐shuffled regular strucure
22
Concluding remarks / Questions 
We demonstrated on selected examples that:
• HCG unit cell topology  influences strongly spectral response and field distributions at resonances
• Symmetry of the unit cell (perturbations) plays major role in shaping spectral response under normal and oblique 
incidence (number and position of resonances)
• Spectral resonance number, position, line shape and field localization  may  be controlled with complex  unit cells:
– Lorentzian shape transforms into the Fano‐type resonance shape and vice versa under “perturbations”
– Resonances introduced into the (previously) deep subwavelength region
– Formation of the “hot‐spots “ in the free space
• Unit cell designed using deterministic aperiodic sequences may give rise to a highly fragmented spectral response 
displaying hierarchical structure
• Designed  complex unit cell topology  as a the efficient initial topology prior to global optimization procedure
Open questions: 
• Is there an optimal choice of initial unit cell topology ?
• What is the best choice of  modeling method ?
• Existence and stability of resonances under fabrication constrains,  resolution and  tolerances ?
• Computational model, conditions and constraints for (robust) topology optimization ?
• What is the influence of finite number of periods, material dispersion and absorption on HCG design?
• …..
Milan Maksimovic
milan.maksimovic@focal.nl
SPIE Optical Metrology 2013
Modeling Aspects in Optical Metrology
Modeling and optimization 
of high index contrast gratings
with aperiodic topologies

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Modeling and optimization of high index contrast gratings with aperiodic topologies SPIE 2013