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©2014 J.A. Woollam Co., Inc. www.jawoollam.com 1
Andrew Martin
Session 3B Using the Gen-Osc Layer to Fit Data
UPenn, February 2014
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 2
Using Gen-Osc to Fit Data
Pre-built Existing Genosc Layer
Library optical constants GENOSC
Cauchy Point-by-Point GENOSC
Choosing the correct oscillators
– Fitting out-of-range oscillators
– Parameter correlation
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 3
GENOSC Process Overview
Use Oscillator
To Fit DATA
Create
Oscillator Model
Existing
Oscillator Model
Tabulated
Optical Constants
Pt-by-Pt Fit
Reference
optical constants
itera
te
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 4
1 Example_1_a-si_on_glass.dat
Use 7059_u.mat for substrate
Use a-si_asp.mat as Reference
Remember to add
surface oxide
– Very important for
semiconductors
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 5
1 Example_1_a-si_on_glass.dat REPEAT
Compare Tauc-Lorentz to Cody-
Lorentz.
Use pre-existing Genosc layer for a-
Si available in the library and
repeat the example.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 6
Procedure for UV Absorbing Films
6
1. Cauchy Fit
– transparent region only
2. Pt-by-Pt Fit – all wavelengths
– fix thickness, then perform pt-by-pt fit
– Build Genosc from tabulated ‘cauchy’
3. Match n,k using Genosc
– fit reference – first e2, then e1
4. Fit Y & D data using new Genosc model
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 7
2 Example_2_Thin_Dielectric_on_Si.dat
Use Si_vuv.mat for substrate
Cauchy PBP Gen-Osc
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 8
Example 2: Thin Dielectric on Silicon
Select Transparent
Region
Build Model with Single-
layer Cauchy
Fit thickness and
Cauchy parameters
Extend range further
toward absorbing
region until MSE climbs
Generated and Experimental
Wavelength (nm)
600 800 1000 1200 1400 1600 1800
Y
in
degre
es
3
6
9
12
15
18
21
24
Model Fit
Exp E 60°
Exp E 75°
0 si_vuv 1 mm
1 cauchy 22.541 nm
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 9
Example 2: Thin Dielectric on Silicon
Fix Thickness and
Cauchy parameters
Select data at ALL
wavelengths
Fit n & k using Pt-by-Pt fit
Generated and Experimental
Wavelength (nm)
0 300 600 900 1200 1500 1800
Y in
de
gre
es
0
10
20
30
40
50
60
70
Model Fit Exp E 60°Exp E 75°
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 10
Example 2: Thin Dielectric on Silicon
PBP fit result n,k
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 11
Example 2: Thin Dielectric on Silicon
Shortcut: Build GenOsc from tabulated‘cauchy’
0 si_vuv 1 mm
1 genosc 22.522 nm
If you have
tabulated optical
constants from any
layer you would like
to use as reference in Genosc, use
right-click menu.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 12
Example 2: Thin Dielectric on Silicon
Tabulated n & k is
loaded as Reference
Material
Note this particular
dielectric has Tauc-
Lorentz absorption shape in UV
Select Fit e2 only
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 13
Example 2: Thin Dielectric on Silicon
Add Oscillators to match e2 shape of Reference material.
~ 5eV
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 14
Example 2: Thin Dielectric on Silicon
Fit Oscillator Parameters to match Reference e2.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 15
Example 2: Thin Dielectric on Silicon
Select “Fit e1 Only”
Fit e1 with poles & offset
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 16
Example 2: Thin Dielectric on Silicon Generated and Experimental
Wavelength (nm)
0 300 600 900 1200 1500 1800
Y in
de
gre
es
0
10
20
30
40
50
60
70
Model Fit Exp E 60°Exp E 75°
Generated and Experimental
Wavelength (nm)
0 300 600 900 1200 1500 1800
D in
de
gre
es
-100
0
100
200
300
Model Fit Exp E 60°Exp E 75°
Generate data
before fitting to insure
that the new layer
agrees with point-by-
point result.
Generated curves
should be close to
Experimental data.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 17
Example 2: Thin Dielectric on Silicon
Generated and Experimental
Wavelength (nm)
0 300 600 900 1200 1500 1800
D in
de
gre
es
-100
0
100
200
300
Model Fit Exp E 60°Exp E 75°
Allow oscillator parameters and thickness to fit.
Watch for
correlation
between
parameters.
MSE=1.36
SAVE Model File for FUTURE!
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 18
3 Example_3_SiNx_on_Si.dat
Start from Cauchy to get a
Gen-Osc for SiNx layer.
Minimize number of Genosc
parameters.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 19
Out-of-range oscillators,
Correlation & sensitivity
– Fit with 2 Gaussian Oscillators
Photon Energy (eV)
4 6 8 10 12
Ima
g(D
iele
ctr
ic C
on
sta
nt)
, e 2
0.0
0.5
1.0
1.5
2.0
3) sion_pbpgaussian near bandgapout-of-range gaussian
Measured spectral
range
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 20
Out-of-range oscillators,
correlation & sensitivity – Note that 3 different oscillators, all fit the measured spectral range equally
well !!
– The Gen-Osc function insensitive to the out-of-range Gaussian parameters
– The amplitude, center energy & broadening are correlated !!
Photon Energy (eV)
4 6 8 10 12 14Im
ag
(Die
lectr
ic C
on
sta
nt)
, e 2
0
2
4
6
8
10
3) sion_pbpout-of-range gaussian, eo=9p4evout-of-range gaussian, eo=11evout-of-range gaussian, eo=12evgaussian near bandgap
Measured spectral
range
Photon Energy (eV)
4 6 8 10 12 14
Ima
g(D
iele
ctr
ic C
on
sta
nt)
, e 2
0
2
4
6
8
10
3) sion_pbpout-of-range gaussian, eo=9p4evout-of-range gaussian, eo=11evout-of-range gaussian, eo=12evgaussian near bandgap
Measured
spectral range
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 21
4 Example_4_Resist_on_Si.dat
Use si_vuv.mat for substrate
Cauchy PBP Gen-Osc
Gaussians work well to match
absorptions from organic film, such
as this photoresist.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 22
GENOSC Process Overview
Use Oscillator
To Fit DATA
Create
Oscillator Model
Existing
Oscillator Model
Tabulated
Optical Constants
Pt-by-Pt Fit
Reference
optical constants
itera
te
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 23
Using Genosc to Fit Data
Starting with Existing Genosc Layer
Cauchy Point-by-Point GENOSC
Choosing the correct oscillators
Fitting out-of-range oscillators
Parameter correlation
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 24
Advanced Genosc
When the pt-by-pt fit fails?
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 25
5 Example_5_Organic_on_Si.dat
Use si_vuv.mat for substrate
Is the PBP result KK consistent?
– Use Gen-Osc to check
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 26
What to do when Pt-by-Pt Fails?
1. Ask why did it fail?
Abrupt n,k changes (try # Pts. To Avg. = 2)
Starting model inaccurate (Roughness, Grading, Depolarization?)
2. Match e2 with oscillators (Gaussians) and match e1 at long-l. Fit. Go to #4 if needed.
3. Slowly move into absorbing region with Genosc, adding oscillators as needed. Go to # 4 if needed.
4. After oscillators come close to solution, do Normal Fit for n,k to develop a “reference” material file.
5. E-mail to us! ([email protected])
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 27
Example 5
Previous point-by-point fit is not KK consistent.
However, we can match e2 at all wavelengths,
and e1 at longer wavelengths to get “starting
point”.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 28
Example 5, continued
Allowing all fit
parameters to vary,
we get: Generated and Experimental
Wavelength (nm)
0 300 600 900 1200 1500 1800
Y i
n d
eg
ree
s
0
20
40
60
80
100
Model Fit Exp E 65°Exp E 75°
Generated and Experimental
Wavelength (nm)
0 300 600 900 1200 1500 1800
D i
n d
eg
ree
s
-100
0
100
200
300
Model Fit Exp E 65°Exp E 75°
Watch for oscillators that get lost.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 29
6 Example_6_Organic_on_Si.dat
Is the Point-by-Point Fit KK consistent?
Try # Pts. To Avg. for next guess = 2
Extra Credit, Alternatively Try: – Match e2 with oscillators (Gaussians) and match
e1 at long-l. Fit.
– After oscillators come close to solution, do
Normal Fit for n,k to develop a “reference”
material file.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 30
Example 6 Results
0 si_jaw 1 mm
1 GenOsc 89.853 nmMSE = 2.5
Generated and Experimental
Wavelength (nm)
0 200 400 600 800 1000
Y in d
egre
es
0
20
40
60
80
100
Model Fit Exp E 65°Exp E 70°Exp E 75°
Generated and Experimental
Wavelength (nm)
0 200 400 600 800 1000
D in d
egre
es
-100
0
100
200
300
Model Fit Exp E 65°Exp E 70°Exp E 75°
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 31
7 Example_7_Organic_on_Si
How do we get the answer without
reference material file?
Try:
– Slowly move into absorbing region
with Genosc, adding oscillators as
needed.
– After oscillators come close to
solution, do Normal Fit for n,k to
develop a “reference” material file.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 32
Example 7
Point-by-Point Fit FAILS
Generated and Experimental
Wavelength (nm)
200 400 600 800 1000 1200
Y in
degre
es
10
20
30
40
50
60
70
80
Model Fit Exp E 65°Exp E 70°Exp E 75°
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 33
Cauchy to Sellmeier
Cauchy Fit up to 1.75eV
Then, convert to Genosc (Sellmeier)
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 34
Extend Data to 2eV
Range-select to 2eV (Generate),
don’t fit yet. Generated and Experimental
Photon Energy (eV)
1.2 1.4 1.6 1.8 2.0
Y in
de
gre
es
15
18
21
24
27
30
33
Model Fit Exp E 65°Exp E 70°Exp E 75°
Must need absorption at 1.8eV and above
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 35
Add Gaussian, Fit and Repeat
Difficult, take small steps (.2eV)
After oscillators come close to solution, do Normal
Fit for n,k to develop a “reference” material file.
Build another Genosc with new “Ref.Mat” file.
0 si_jaw 1 mm
1 GenOsc 60.127 nm
Generated and Experimental
Photon Energy (eV)
1.0 1.5 2.0 2.5 3.0 3.5 4.0
Y in
de
gre
es
D in
de
gre
es
10
20
30
40
50
60
70
80
-100
-50
0
50
100
150
Model Fit Exp Y-E 65°Exp Y-E 70°Exp Y-E 75°Model Fit Exp D-E 65°Exp D-E 70°Exp D-E 75°
GenOsc Optical Constants
Photon Energy (eV)
1.0 1.5 2.0 2.5 3.0 3.5 4.0
Ind
ex o
f R
efr
actio
n '
n'
Extin
ctio
n C
oe
fficie
nt '
k'
1.2
1.4
1.6
1.8
2.0
2.2
0.0
0.2
0.4
0.6
0.8
nk
MSE = 12
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 36
EXTRA CREDIT - Depolarization
Film was non-uniform and this is
required to fit data better.
Generated and Experimental
Photon Energy (eV)
1.0 1.5 2.0 2.5 3.0 3.5 4.0
Y in
de
gre
es
D in
de
gre
es
10
20
30
40
50
60
70
80
-100
-50
0
50
100
150
Model Fit Exp Y-E 65°Exp Y-E 70°Exp Y-E 75°Model Fit Exp D-E 65°Exp D-E 70°Exp D-E 75°
0 si_jaw 1 mm
1 genosc 59.191 nm
MSE = 3.9
Generated and Experimental
Photon Energy (eV)
1.0 1.5 2.0 2.5 3.0 3.5 4.0%
Depola
rization
0
3
6
9
12
15
18
Model Fit Exp -dpolE 65°Exp -dpolE 70°Exp -dpolE 75°
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 37
Extra Slides
The following slides provide an
additional Example.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 38
p-semi Oscillator
The Genosc psemi has 9 main
variable parameters (11 total*):
1. E Center energy
2. A Amplitude
3. B Broadening
4. WL Left end point
5. WR Right end point
6. PL position left control point
7. AL amplitude left control point
8. PR position right control point
9. AR amplitude right control point.
eV
e 2
PL=0.75
(fixed)
A & E1
(variable)
WL WR
PR=0.5
(fixed)
AR:(variable)
B (variable)
O2R = 0
(fixed)
O2L = 1
(fixed)
Psemi-M1
AL:(variable)
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 39
Psemi-Triangle oscillator
Psemi-TRI
eV
e 2
A, Ec (variable)
WL
(variable)
PR=0.5
(fixed)
AR:(variable)
PL=0.5
(fixed)
AL:(variable)
B (variable)
AL = 0.3, AR = 0.5
WR
(variable)
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 40
Psemi-M0 oscillator
AR (variable) = 0.8
A
B = 0.05eV
O2R = 0
(all variable)
eV
e 2
PR=0.5
PR=0.6
AR = 0.5
AR = 0.3
Eo
(variable)
WR (variable)
PR (variable)
Psemi-M0
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 41
8 Example_8_Direct_gap_film_on_SiC.dat
Use SiC_4H_o_g.mat for substrate
Try to match with Gaussians. How many
does it require?
How many PSEMI oscillators are required?
Count up the total number of “free”
parameters.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 42
Poly-Silicon The dielectric function of silicon varies with crystallinity.
Amorphous films have broad UV absorption: no distinct electronic
transitions (E1, E2,…)
As crystallinity increases, individual peaks separate & become
narrower.
To quantify crystallinity, optical constants are compared to
“reference” measurements where a film with known crystallinity was measured.
Photon Energy (eV)
1.0 2.0 3.0 4.0 5.0 6.0
Ima
g(D
iele
ctr
ic C
on
sta
nt)
, e 2
0
10
20
30
40
50
a-Si70% Poly-Si85% Poly-Sic-Si
e2 for different
silicon films from
one “reference”
file.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 43
Estimating Crystallinity
Ellipsometry can be used to estimate the amount of
crystallinity by comparing the measured optical constants
to the “reference” files. To improve accuracy, a new
“reference” file can be created for the particular deposition process.
Photon Energy (eV)
1.0 2.0 3.0 4.0 5.0 6.0
Ima
g(D
iele
ctr
ic C
on
sta
nt)
, e 2
0
10
20
30
40
50
75% Poly-Si80% Poly-Si90% Poly-SiCrystalline Si
For high crystalline %,
the peak is narrower
and eventually
separates into two
distinct regions.
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 44
Estimating Crystallinity - 2
For amorphous films and small-grain poly-Si,
the absorption peak is broad – but there is still
a shift of the optical constants as shown
below.
Photon Energy (eV)
1.0 2.0 3.0 4.0 5.0 6.0
Ima
g(D
iele
ctr
ic C
on
sta
nt)
, e 2
0
10
20
30
40
a-Si10% poly-Si20% poly-Si30% poly-Si
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 45
Estimating Bandgap
The ellipsometer is sensitive to optical constants of film. It will be most sensitive to the shape of absorbing region where e2 is larger. Although many models such as Tauc-Lorentz and Cody-Lorentz contain a bandgap term, the indirect gap of silicon films is not directly measurable. The bandgap can be estimated by plotting the decrease in a toward zero (log-scale).
Discussed in Woollam Newsletter article from year 2012
Photon Energy (eV)
0.0 1.0 2.0 3.0 4.0 5.0 6.0Lo
g(A
bso
rptio
n C
oe
ffic
ien
t in
1/c
m)
0
3
5
8
10
a-Si10% poly-Si20% poly-Si30% poly-Si
Tauc-Lorentz model matches
different a-Si and poly-Si films.
Blue area shows the level of
absorption that the SE can
detect. Values below are
extrapolated from T-L shape
©2014 J.A. Woollam Co., Inc. www.jawoollam.com 46
Estimating Bandgap - 2 Cody-Lorentz provides more flexibility for amorphous
semiconductors. Similar to the Tauc-Lorentz, SE is sensitive to
shape primarily from the more absorbing UV region and the
bandgap region just shifts as the overall shape changes.
Lesson: T-L and C-L can provide a qualitative ‘bandgap’ value for comparison, but may not match actual physical
property of film.
Photon Energy (eV)
0.0 1.0 2.0 3.0 4.0 5.0 6.0Lo
g(A
bso
rptio
n C
oe
ffic
ien
t in
1/c
m)
2.0
3.0
4.0
5.0
6.0
7.0
a-Si10% poly-Si20% poly-Si30% poly-Si