Talk 5-3-1 CST Euc 2012

Yuehe Ge
Optical Applications with

CST Microwave Studio
Dr. Frank Demming-Janssen CST AG
Gothic stained g
window of Notre-Da
http://en.wikipedia
lasmon
CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com
Validity and Limitations

All solvers solve Maxwells Equations
Quantum effects are not considered, so:
Objects should be at least a few in size
A statistically large number of photons should be
considered
Both solvers(Time Domain with FIT and Frequency Domain
with FEM) have no inherent spatial or frequency limitation
Electrically large structures may require large amounts of
memory
Terminology: Differences
Optical Engineer:
Electrical Engineer:
- n and k
- and
- wavelength
[380 750 nm]
- frequency
[400 790 THz]
- Transmission &
Reflection coeff.
- S-parameters
Terminology: Translation
However, translation is simple:
)
n = n + i k = n (1 + i )
2
2
= n k
= 2 nk
f = c/
Overview
Plasmonic?!
Solver Choice for Optical Applications
Optical Tutorial
What is a Plasmon?
From Wikipedia: (..) Plasmons are collective oscillations of the
free electron gas density, for example, at optical frequencies
(.) Since plasmons are the quantization of classical plasma
oscillations, most of their properties can be derived directly
from Maxwell's equations.
What is a Plasmon?
http://en.wikipedia.org
/wiki/Plasmon
Gothic stained glass rose window of Notre-Dame de Paris. The colors were achieved by
colloids of gold nano-particles. Window was created by Jean de Chelles on the 13th century
Why is plasmonic still hot

Light focusing & enhancement
In classical optical systems the field concentration is limited
by the wavelength.
Focal spots of lens systems or optical fibers have about the
diameter of /2
Plasmons generate concentrated field distribution and are hot
candidates for light transmission thru sub- devices and for
sub- light focusing
optical computers,
sub- optical lithography
Why is plasmonic still hot
Channel plasmon-polariton
3D EM Solver Overview
General purpose solver 3D-volume
Transient
Frequency
Domain
large problems
broadband
arbitrary time signals
narrow band / single frequency
small problems
periodic structures with Floquet port modes
Special solver 3D-volume: closed resonant structures

Eigenmode
strongly resonant structures, narrow band

cavities
Special solver 3D-surface: large open metallic structures

Integral Equation
(based on MLFMM)
large structures
dominated by metal
Asymptotic Solver
extremely large structures
Solver Choice: Transient Solver

Memory efficient algorithm
solves electrical large problems

Perfect Boundary Approximation
reduces staircase error at dielectric/dielectric and
dielectric/PEC interface
PBA
Staircase

Perfect Boundary Approximation
Calculates Broadband Solution
Silver coated silica sphere

Solver Choice: Frequency Domain

Possibly faster for electrically small models
TET mesh more accurate at metallic material
interfaces -> plasmons
HEX
TET
Solver Choice: Frequency Domain

Possibly faster for electrically small models
TET mesh more accurate at metallic material
interfaces -> plasmons
Unit Cells with Flouquet Ports
Tutorial Content
Installation of Optical Toolkit
Examples
Plasmon grating
optical scatterer & antennas
Installation of optical toolkit
The supplied ZIP file contains

material files for metals at
optical frequencies as well as
a project template file for
optical applications. These
files need to be extracted
into the proper directory
Extract Material Library file

Extract *.mtd files into \\CST
STUDIO SUITE
2012\Library\Materials
Extract Project Template file

Extract all Optical Application*.* files
into \\CST STUDIO SUITE 2012\Library\
\\STUDIO SUITE 2012\Library\New
Project Templates
Extract Optical Nano Emitter Macro

Extract the Optical Nano Emitter.mcs
files into \\ C:\Program Files (x86)\CST
STUDIO SUITE 2012\Library\Macros\
Solver\Sources
After Extraction
Tutorial Example I
Efficient optical coupling into metal-insulator-metal
plasmon modes with subwavelength diffraction gratings
Michael J. Preiner, Ken T. Shimizu, Justin S. White, and Nicholas A. Melosha. APPLIED
PHYSICS LETTERS 92, 113109 2008
Geometry/Unit Cell Details

10 nm Au
20 nm
14 nm Al2O3
5 nm Ag
Au
135 nm Au
= 720 nm -> 416 THz

theta = 53 deg
Online Example
Start with optical

application template
to set the units to
THz and nm
Online Example
Specify background material and frequency range

Load Materials form Library

Load optical material
properties for Gold and
Silver form the library.
Hint: You might want to
use the filter *optical
to only display the
materials for the optical
frequency range.
Create Al2O3 Material

Create Al2O3 material
with a = n2 of 1.732
Create Substrate
Define Brick and
align WCS as
shown
Create Grove
Define cylinder and cut away

Blend Edges
Select edges and blend with 20 nm

Create Silver Layer
Create 5 nm Silver
layer by performing
a transform/copy.
Do NOT yet perform
a boolean operation
Create Al2O3 Layer
Create 14 nm Al2O3
layer by performing a
transform/copy of
the silver layer. Do
NOT yet perform a
Boolean operation
Create top Gold Layer

Create top 12 nm Gold layer
by performing a transform/
copy of the Al2O3 layer.
Perform
several Trim
highlighted
shape so that
only the top
layer of Gold
remains
Boolean Operations
Perform a Intersection
check on the Al2O3 and
Silver layer (in this
order) as well and
select trim so that
the layer structure is
created
Rename Layer
rename the
layers with
proper names
Silver Layer,
Dielectric Layer,
Gold Layer
final geometry
Specify Boundary and Excitation Condition
Specify boundary
conditions, scan
angle and floquet
port boundaries
Define Field Monitors
Define e-field
monitor
Specify Mesh and Solver Parameteres
Specify curved mesh and solver settings and start solver

Field Results
Results: Plasmon is generated in dielectric layer if polarization of

the field is in parallel to the plane of incident
Define Parameter
Define Parameter for grating width and angle of incident

Define Parameter Sweep
Define Result Templates
Sweep Result
Tutorial Example II
Optical Properties of
Metallodielectric
Nanostructures Calculated
using Finite Difference Time
Domain Method
Chris Oubre, Peter Nordlander, The Journal of
Physical Chemistry B (2004), Vol. 108, pp.
17740-17747
Geometry Details: Silver coated Silica Shell

96 nm
78 nm
Silver: (drude material)

Silica: = 2.08
Online Example
Start with optical

to set the units to
THz and nm
Define silica sphere
Define Silver sphere

use Drude
Dispersion Model.
Factor 1.602 is
used, because in
the reference
paper, the drude
parameters are
given in terms of
eV
Specify background and frequency range
Perform Boolean Operation
final geometry
Specify Boundary and Symmetry Condition
Specify Excitation
Results
For plasmonic applications the following quantities
might be of interest:
E and H Fields possible along lines and surfaces
absorption, scattering and extinction cross section.
The following slides shows, how to extract those results
Define Mesh Adaption Goal

To compare the results with the published paper, the following
results should be extracted:
E-Field at 553.5 THz along a line thru the sphere
Extinction cross section vs. wavelength
Since the FD Solver calculates one frequency point at a time, we will

check mesh convergence with respect to the field along the line.
Define Field Monitors of Interest
Setup Result Template to extract field along line
Define 0D Results for Mesh Adaptation
Specify Solver Settings and Start Solver
Specify Solver Settings and Start Solver
Max Field strength along line should

not vary by more then 1% for two
checks in a row
Results
Field strength along line for the first 6 passes. Results are reasonable
close together. Zooming in at the material interface between silver
and vacuum shows a slope instead of a jump in the field
strength. To get better results, increase mesh density at observation
point by using dummy objects.
Add dummy spheres on vacuum silver interface
Add Dummy spheres

with 1 nm radius at
both sides
Add dummy spheres on silver silica interface
Add two dummy spheres with 1 nm radius on silver silica

interface
Mesh View with/ without dummy spheres
Results
Field strength along converged after three passes. Zooming in at the

material interface between silver and vacuum shows a poper jumpin
the field strength.
Field Results
Field inside and outside the sphere are out of phase

Setup Extinction Cross Section Simulation
Define broadband monitors

Change mesh adaptation settings and start solver
Without any active goal, the

maximum numbers of passes is
performed
Scattering and absorption cross section
Extract extinction cross section vs. wavelength
Rename and create wavelength plot and

evaluate all
Scattering and absorption cross section
Comparison vs. publication
Tutorial Example III

Excitation of a Surface Plasmon
Geometry/Unit Cell Details
Vacumm
50 nm Au
250 nm Flint Glass
100 nm
= 720 nm -> 416 THz

theta = variable
Define Template
Start with optical

to set the units to
THz and nm

properties for Gold form
the library. Hint: You
might want to use the
filter *optical to only
display the materials for
the optical frequency
range.
Create Flint Glass Material

Create Flint Glass
material with a = n2
of 1.622
Specify background material
Specify background material

Specify frequency range
Specify frequency range

Create substrate
Define Brick
Create gold layer by extruding top face
Create vacuum top by extruding top face
Specify boundary and excitation condition
Specify boundary conditions and scan angle

Define excitation port
Define excitation port
Define e-field
monitor
Specify Solver Parameteres
Specify solver settings and start solver
First Results
Only weak Plasmon is at this time. large Reflection of the incident

wave. The S-Parameter (magnitude linear) are close to 1
Setup Parameter Sweep for excitation angle
Setup Parameter Watch
Start Sweep
Sweep Results
Best angle = 39.5
Plasmon at 39.5 deg
Tutorial Example IV
Bright and Dark Plasmon Excitation of a Nanorod
Model Info
In Tutorial II we showed already, how a Plasmon can be excited in a nano particle by a plane
wave. Due to symmetry reasons, only dipole and quadruple (e.g. odd) Plasmon modes can
couple to a plane wave. Those plasmons are call bright since they can observed by light
scattering. Plasmons, which will not couple to radiating field are called dark plasmons.
external field
internal field
bright dark
bright
Geometry Details: Nanorod with Nanoemitter

Dark Plasmon might be excited by localized sources near the apex of the rod. In this test
model, we will use a small physical dipole of 3 nm length. The 0.25 nm gap is driven by a
high impedance port
10 nm gold
Frequency range: 200 650 THz
100 nm
0.25 nm
0.25 nm
0.25 nm
3 nm
First Step
Start with optical

to set the units to
THz and nm
Background material and Frequency Range

Define Nano Rod
Blend Edges
Create Nano Emitter
Create Gap
Create Nano Emitter
Create Nano Emitter Port
Create Port Sheet by using pick points

Create Nano Emitter Port
Move Emitter
Define Probe
Define Broadband Monitors
Define Integration Face for Monitor
Define Intgration Face for Monitor
Mesh Setup
Symmetry Setup
Solver Setup + Start
Post Processing - Probes
E-Field probe shows

two distinct resonance
peaks -> 2 plasmons
Post Processing - Farfield
Radiated Power shows

only one distinct
resonance peaks ->
Only one Plasmon can
decay by radiation
Post Processing - PowerFlow
Choose proper name

The power flow integrated
over the rod surface gives the
total absorb power! Two more
templates for the power
flowing out of the port
(accepted power) and power
flowing away from the device
(radiated power) give use the
complete power balance of
radiated and absorbed power
Post Processing Add. Templates

for comparison, add templates from
the farfield results
Post Processing Add. Templates

.. and S-Parameter balance
Post Processing calc. accepted power
Post Processing Evaluate
Post Processing Results: Abs. Power

Power absorbed by
the Rod. Is negative
because I have a net
power flow into the
surface
Post Processing Results: Port Power

Power leaving the
port. Should be
similar to the power
from the S-Parameter
balance.
Post Processing Results: Port Power

Comparison port
power and balance
Post Processing Results: Rad. Power

Radiated Power from
Power Flow. This is a
peak value and
should be twice as
the radiated power
from farfield (RMS)
value
Post Processing Results: Rad. Power

Comparison for
Radiated power from
Powerflow and
Farfield. Farfield
results have been
scaled by a factor of
2 to have peak values
Tutorial Example V
Enhancement and Quenching of Single-Molecule
Fluorescence
Pascal Anger, Palash Bharadwaj, and Lukas Novotny; PHYSICAL REVIEW LETTERS 96,
113002 2006
Model Info
The lifetime of an excited atomic state is not only a function of the atom but also of its
environment. In the mentioned paper, the fluorescence rate of a single molecule as a
function of its separation from a laser irradiated, spherical gold nanoparticle is investigated
for the case of weak excitation (no saturation). The fluorescence process can be separate
into to states. First the single molecule is excited by the incident radiation. The excitation
rate scales with |p E|2 where p is the intrinsic transition dipole moment of the molecule
and E is the local E Field at the position of the molecule. The E-Field and therefore the
excitation rate will be enhanced closed to the particle surface.
The decay of the excited state can be divided into a radiative (fluorescence) an non
radiative (ohmic losses/heat generation) path. The closer the nano emitter to the surface of
gold particle the larger the relative amount of energy lost to ohmic effects. As is shown in
the reference paper, there is a certain gap width, where the combined effects lead to an
overall increased fluorescence. The field enhancement is strong enough to out weight
energy losses to the absorption by the gold sphere.
Geometry Details
gap
To find the optimum particle radius

r and gap distance gap , two
separate simulations are required.
First, we need to know the field
strength at the positions of the
molecule due to the presence of the
gold nano particle. Secondly we
need simulate the quantum yield for
the molecule which is the ratio of
radiated to total emitted energy.
The emitting molecule is modeled as
electrical small dipole. The
simulation is performed for a
wavelength of 650 nm (461.5 THz)
Setup Details
To fully automate the simulation of the enhancement we use simulation flow control
mechanism of Design Studio. We will setup up two independent CST MWS Models. The first
model calculates the field enhancement in the near field of the nano particle. The second
model calculates the quantum efficiency of a nano emitter.
Both models are then uploaded into the Design Studio and linked with global parameters. A
nested parameter sweep then allows to calculate the enhancement factor in a single
simulation setup.
Model 1: Select Template
Start with optical

to set the units to
THz and nm
Online Example


properties for Gold form
the library. Hint: You
might want to use the
filter *optical to only
display the materials for
the optical frequency
range.
Define gold sphere
Define line to extract field strength
move WCS
Define line
Define mesh dummy

Create two copies of curve
Toggle WCS Off
Define mesh dummy
Define local mesh
Specify Excitation
Define e-field
monitor
Mesh Setup
Field Results
Add Template Evaluate Field on Curve
Field Results along curve
Model 2:
Save Model 1 under a different name. Delete the wires
and result templates
Create Nano Emitter

Check if WCS is still located on the top of the sphere.
Move WCS by a new parameter gap
Create Nano Emitter

Run the Macro Create optical Nano Emitter.
This macro will create an
electrical small dipole (1 nm
length) in direction of the
w. The dipole will be
driven by a high impedance
Port. Furthermore, a closed
face is create to be used for
integration of a Powerflow
monitor to watch the total
emitted power. For badly
matched ports, this is more
accurate then the power
balance of the port itself
Define power
flow monitor
Define Integration Face for Powerflow
Pick gold sphere surface and create a face including the emitter and
the sphere. An offset of gap + 5 will included the emitter.
Mesh Setup
Define two Evaluate field of face monitors. One for the Source
this gives us the power emitted from the source only. And one for
the radiation which returns the power which is radiated into free
space. Please use proper names for the monitors.
Post Processing calculate Qeff
The quantum efficiency is the ratio for the two power flow integrations
Define Parameter Sweep
Results of Parameter Sweep
Comparison of
published results and
CST MWS Results for a
80 nm diameter gold
sphere
published
MWS
Calculate Fluorescence Rate in DS

Load the two CST MWS
models to calculate the field
along the line (E-Fields) and
the quantum efficiency
(Qeff) into a DS Project.
These blocks will have the
local parameter assigned.
Set up simulation tasks
Set up simulation tasks
Define Global Parameter in DS
Assign global parameters to the local block

parameters
Setup Post Processing

Load field along line

Get Field at Position gap

Load Qeff

Calculate Fluorescence enhancement
Run Simulation
DS will now
start a simulation for the block
with the plane wave excitation
with the a gold sphere of
radius radi
extract the field along the line
start a simulation with the
nano emitter at the position
gap with the a gold sphere
of radius radi
extract the Qeff
and finally calculates the
fluorescence enhancement
First DS Results
Setup nested sweep
Setup nested sweep
Define Full workflow

With Drag and Drop and move up/down you can sort the workflow. For each
radi, the E-Field is extracted along the line in one simulation. Then the nano
emitter is swept along the position gap to calculate the Qeff. The field
strength at the position of the emitter is extracted from the first simulation in
the post processing inside the gap sweep.
Final Results
MWS/DS Results
Published Results

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Yuehe Ge

Optical Applications with

Validity and Limitations

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Why is plasmonic still hot

sub- optical lithography

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Why is plasmonic still hot

Special solver 3D-volume: closed resonant structures

strongly resonant structures, narrow band

Special solver 3D-surface: large open metallic structures

extremely large structures

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Solver Choice: Transient Solver

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Solver Choice: Transient Solver

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Solver Choice: Transient Solver

Silver coated silica sphere

Solver Choice: Frequency Domain

Solver Choice: Frequency Domain

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Installation of optical toolkit

The supplied ZIP file contains

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Extract Material Library file

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Extract Project Template file

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Extract Optical Nano Emitter Macro

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Geometry/Unit Cell Details

= 720 nm -> 416 THz

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Start with optical

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Specify background material and frequency range

Load Materials form Library

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Create Al2O3 Material

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Define cylinder and cut away

Select edges and blend with 20 nm

Create Silver Layer

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Create Al2O3 Layer

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Create top Gold Layer

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Specify Boundary and Excitation Condition

Define Field Monitors

CST COMPUTER SIMULATION TECHNOLOGY | www.cst.com

Specify Mesh and Solver Parameteres

Specify curved mesh and solver settings and start solver

Results: Plasmon is generated in dielectric layer if polarization of

Define Parameter for grating width and angle of incident