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Kramers Kronig en Matlab

This document contains 5 MATLAB programs for analyzing spectral data using Kramers-Kronig (K-K) relations and singly subtractive Kramers-Kronig (SSKK) relations. The programs compute the real and imaginary parts of susceptibility from the other part. Program 3 performs self-consistent estimates by iteratively applying the K-K relations and combining with initial estimates. The programs require regularly spaced spectral data as input and output the transformed data. Instructions are provided on saving and naming the programs for use within the same directory.

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0% found this document useful (0 votes)
190 views25 pages

Kramers Kronig en Matlab

This document contains 5 MATLAB programs for analyzing spectral data using Kramers-Kronig (K-K) relations and singly subtractive Kramers-Kronig (SSKK) relations. The programs compute the real and imaginary parts of susceptibility from the other part. Program 3 performs self-consistent estimates by iteratively applying the K-K relations and combining with initial estimates. The programs require regularly spaced spectral data as input and output the transformed data. Instructions are provided on saving and naming the programs for use within the same directory.

Uploaded by

Letalis Ira
Copyright
© © All Rights Reserved
We take content rights seriously. If you suspect this is your content, claim it here.
Available Formats
Download as PDF, TXT or read online on Scribd
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A MATLAB Programs for Data Analysis

In this appendix, we present some basic programs written for the MAT-
LAB environment for the analysis of the data. These programs can be
easily customized by the expert user, but they nevertheless constitute useful
data analysis tools also in the present form.
The first two programs deal with the computation of K-K relations. The
third program can be used to obtain self-consistent (in terms of K-K relations)
estimates of the real and the imaginary parts of susceptibility when first-
guess estimates are used as input. It is particularly suitable when the first-
guess estimates of the real and imaginary parts of susceptibility have been
independently obtained, e.g. by direct measurements. The fourth and the
fifth program deal with the computation of SSKK relations.
In order to take advantage of this set of programs, and considering that
the first two programs are called by the last three programs, it is strongly
advised to save them in the same directory with the following names:
– Program 1: kkimbook.m;
– Program 2: kkrebook.m;
– Program 3: selfconsbook.m;
– Program 4: sskkimbook.m;
– Program 5: sskkrebook.m.
These programs require that the spectral data given as input have con-
stant frequency spacing. Simple interpolation schemes can in most cases ef-
ficiently rearrange diversely spaced data to this form. These programs have
been tested on the MATLAB versions 6.x both for Linux/Unix and Mi-
crosoft Windows environments.

A.1 Program 1: Estimation of the Imaginary Part


via Kramers-Kronig Relations

function imchi=kkimbook(omega,rechi,alpha)
%The program inputs are 1) omega, vector of the frequency
%(or energy) components, 2) rechi, vector of the real part
%of the susceptibility under examination, 3) alpha, value
138 A MATLAB Programs for Data Analysis

%of the moment considered. The two vectors 1) and 2)


%must have the same length. The output is the estimate
%of the imaginary part as obtained with K-K relations.
%In order to use this program, save the whole text contained
%in this section in a file and name it kkimbook.m

if size(omega,1)>size(omega,2);
omega=omega’;
end; if size(rechi,1)>size(rechi,2);
rechi=rechi’;
end;
%Here the program rearranges the two vectors so that,
%whichever their initial shape, they become row vectors.

g=size(omega,2);
%Size of the vectors.%

imchi=zeros(size(rechi));
%The output is initialized.

a=zeros(size(rechi));
b=zeros(size(rechi));
%Two vectors for intermediate calculations are initialized

deltaomega=omega(2)-omega(1);
%Here we compute the frequency (or energy) interval

j=1;
beta1=0;
for k=2:g;
b(1)=beta1+rechi(k)*omega(k)ˆ(2*alpha)/(omega(k)ˆ2-omega(1)ˆ2);
beta1=b(1);
end;
imchi(1)=-2/pi*deltaomega*b(1)*omega(1)ˆ(1-2*alpha);
%First element of the output: the principal part integration
%is computed by excluding the first element of the input

j=g;
alpha1=0;
for k=1:g-1;
a(g)=alpha1+rechi(k)*omega(k)ˆ(2*alpha)/(omega(k)ˆ2-omega(g)ˆ2);
alpha1=a(g);
end;
imchi(g)=-2/pi*deltaomega*a(g)*omega(g)ˆ(1-2*alpha);
%Last element of the output: the principal part integration
%is computed by excluding the last element of the input.

for j=2:g-1; ;
A.2 Program 2: Estimation of the Real via Kramers-Kronig Relations 139

%Loop on the inner components of the output vector.


alpha1=0;
beta1=0;
for k=1:j-1;
a(j)=alpha1+rechi(k)*omega(k)ˆ(2*alpha)/...
(omega(k)ˆ2-omega(j)ˆ2);
alpha1=a(j);
end;
for k=j+1:g;
b(j)=beta1+rechi(k)*omega(k)ˆ(2*alpha)/...
(omega(k)ˆ2-omega(j)ˆ2);
beta1=b(j);
end;
imchi(j)=-2/pi*deltaomega*(a(j)+b(j))*omega(j)ˆ(1-2*alpha);
end;
%Last element of the output: the principal part integration
%is computed by excluding the last element of the input

A.2 Program 2: Estimation of the Real


via Kramers-Kronig Relations
function rechi=kkrebook(omega,imchi,alpha)
%The program inputs are 1) omega, vector of the frequency
%(or energy) components, 2) imchi, vector of the imaginary
%part of the susceptibility under examination, and 3) alpha,
%the value of the moment considered. The two vectors
%1) and 2) must have the same length.
%The output is the estimate of the real part as obtained
%with K-K relations.
%In order to use this program, save the whole text contained
%in this section in a file and name it kkrebook.m

if size(omega,1)>size(omega,2);
omega=omega’;
end; if size(imchi,1)>size(imchi,2);
imchi=imchi’;
end;
%Here the program rearranges the two vectors so that,
%whichever their initial shape, they become row vectors.

g=size(omega,2);
%Size of the vectors.%

rechi=zeros(size(imchi));
%The output is initialized.

a=zeros(size(imchi));
140 A MATLAB Programs for Data Analysis

b=zeros(size(imchi));
%Two vectors for intermediate calculations are initialized

deltaomega=omega(2)-omega(1);
%Here we compute the frequency (or energy) interval

j=1;
beta1=0;
for k=2:g;
b(1)=beta1+imchi(k)*omega(k)ˆ(2*alpha+1)/...
(omega(k)ˆ2-omega(1)ˆ2);
beta1=b(1);
end;
rechi(1)=2/pi*deltaomega*b(1)*omega(1)ˆ(-2*alpha);
%First element of the output: the principal part integration
%is computed by excluding the first element of the input

j=g;
alpha1=0;
for k=1:g-1;
a(g)=alpha1+imchi(k)*omega(k)ˆ(2*alpha+1)/...
(omega(k)ˆ2-omega(g)ˆ2);
alpha1=a(g);
end;
rechi(g)=2/pi*deltaomega*a(g)*omega(g)ˆ(-2*alpha);
%Last element of the output: the principal part integration
%is computed by excluding the last element of the input

for j=2:g-1; ;
%Loop on the inner components of the output vector.
alpha1=0;
beta1=0;
for k=1:j-1;
a(j)=alpha1+imchi(k)*omega(k)ˆ(2*alpha+1)/...
(omega(k)ˆ2-omega(j)ˆ2);
alpha1=a(j);
end;
for k=j+1:g;
b(j)=beta1+imchi(k)*omega(k)ˆ(2*alpha+1)/...
(omega(k)ˆ2-omega(j)ˆ2);
beta1=b(j);
end;
rechi(j)=2/pi*deltaomega*(a(j)+b(j))*omega(j)ˆ(-2*alpha);
end;
%Last element of the output: the principal part integration
%is computed by excluding the last element of the input
A.3 Program 3: Self-Consistent Estimate of the Real and Imaginary Parts 141

A.3 Program 3: Self-Consistent Estimate of the Real


and Imaginary Parts of Susceptibility

function [refin,imfin]=selfconsbook(omega,rechi,imchi,N,mu)
%The program inputs are 1) omega, vector of the frequency (or
%energy) vector, 2) rechi, vector of the first-guess real part
%of the susceptibility under examination 3) imchi, vector of
%the first-guess imaginary part of the susceptibility under
%examination, 4) N, number of iterations, and 5) mu, weight factor,
%which must be between 0 and 1 (0.5 is usually a good choice).
%mu determines the weight we want to give to the first-guess
%estimates in the self-consistent procedure. The three vectors
%1), 2) and 3) must have the same length.
%The output consists of the self-consistent estimates of
%the real and of the imaginary part as obtained by
%combining recursively first-guess estimates and outputs
%of K-K relations.
%In order to use this program, save the whole text contained
%in this section in a file and name it selfconsbook.m

if size(omega,1)>size(omega,2);
omega=omega’;
end;
if size(rechi,1)>size(rechi,2);
rechi=rechi’;
end;
if size(imchi,1)>size(imchi,2);
imchi=imchi’;
end;
%Here the program rearranges the three vectors so that,
%whichever their initial shape, they become row vectors.

comodo1=rechi;
comodo2=imchi;
%Here the program defines two intermediate variables.

for j=1:N;
comodo1=kkrebook(omega,comodo2,0);
comodo1=(mu*rechi+(1-mu)*comodo1);
comodo2=kkimbook(omega,comodo1,0);
comodo2=(mu*imchi+(1-mu)*comodo2);
end;
%At each step the program computes the best estimate
%of the real and imaginary part by combining application
%of K-K relations with actual measurements.
refin=comodo1;
imfin=comodo2;
142 A MATLAB Programs for Data Analysis

A.4 Program 4: Estimation of the Imaginary Part


via Singly Subtractive Kramers-Kronig Relations

function imchi=sskkimbook(omega,rechi,omega1,imchi1,alpha)
%The program inputs are 1) omega, vector of the frequency
%(or energy) components, 2) rechi, vector of the real
%part of the susceptibility under examination, 3) omega1,
%anchor point, 4) imchi1, value of the imaginary part at
%the anchor point, 5) alpha, value of the moment considered.
%The two vectors 1) and 2) must have the same length.
%The output is the estimate of the
%imaginary part as obtained by using SSKK relations.
%In order to use this program, save the whole text contained
%in this section in a file and name it sskkimbook.m

if size(omega,1)>size(omega,2);
omega=omega’;
end; if size(rechi,1)>size(rechi,2);
rechi=rechi’;
end;
%Here the program rearranges the two vectors so that,
%whichever their initial shape, they become row vectors.

g=size(omega,2);
%Size of the vectors.%

k=0;
for j=1:g;
if omega(j)==omega1;
k=j;
end;
end;
%Determination of the anchor point.

imchi=kkimbook(omega,rechi,alpha);
%Application of K-K relations

imchi=imchi+omega1ˆ(2*alpha-1)*omega.ˆ(1-2*alpha)*(imchi1-imchi(k));
%The subtracted relation upgrades the estimate obtained
%with K-K relations.
A.5 Program 5: Estimation of the Real Part 143

A.5 Program 5: Estimation of the Real Part


via Singly Subtractive Kramers-Kronig Relations

function rechi=sskkrebook(omega,imchi,omega1,rechi1,alpha)
%The program inputs are 1) omega, vector of the
% frequency (or energy) components, 2) imchi, vector of
%the imaginary part of the susceptibility
%under examination, 3) omega1, anchor point, 4) rechi1,
%value of the real part at the anchor point, 5) alpha,
%value of the moment considered.
%The two vectors 1) and 2) must have the same length.
%The output is the estimate of the
%real part as obtained by using SSKK relations.
%In order to use this program, save the whole text contained
%in this section in a file and name it sskkrebook.m

if size(omega,1)>size(omega,2);
omega=omega’;
end; if size(imchi,1)>size(imchi,2);
rechi=rechi’;
end;
%Here the program rearranges the two vectors so that,
%whichever their initial shape, they become row vectors.

g=size(omega,2);
%Size of the vectors.%

k=0; for j=1:g;


if omega(j)==omega1;
k=j;
end;
end;
%Determination of the anchor point.

rechi=kkrebook(omega,imchi,alpha);
%Application of K-K relations

rechi=rechi+omega1ˆ(2*alpha)*omega.ˆ(-2*alpha)*(rechi1-rechi(k));
%The subtracted relation upgrades the estimate obtained
%with K-K relations.
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Index

absorption 2, 14, 17, 21, 27–29, 32, 35, experimental 96


47, 76, 79, 124 phase 126–128
anchor point 44, 47, 90, 92, 93, 95, truncation 104, 106
102–104, 115–117, 119, 120, 124, extinction coefficient 35, 43, 44, 117,
128, 129, 131 118, 120, 121
angle of incidence 14, 117, 119, extrapolation 44, 93
123–125
ATR 121, 122 field
Attenuated Total Reflection see ATR electromagnetic 5–7, 10, 19
local 11, 19, 20, 30, 31, 133
Beer-Lambert law 1, 27 Fresnel’s equations 15, 39, 117
birefringence 25
Blaschke product 41 Green function 11, 16–18, 29, 30, 72,
Brewster angle 41 74, 85
Bruggeman 21–24, 30, 115, 129 linear 11, 16, 17, 29
effective medium 23, 24 nonlinear 72, 74, 85
liquid 115, 129
Hamiltonian 6–9, 16, 17, 30, 85, 87
Cauchy 76
harmonic-generation 2, 79, 83–90,
causality 1, 27, 28, 33, 72, 74, 75, 89,
93–98, 101, 102, 106, 133, 134
109, 133
processes 83, 84, 90, 133
Clausius-Mossotti equation 20, 21
susceptibility 79, 83–90, 93–98, 101,
conductors 29, 30, 33, 35, 38, 39, 89,
102, 106
90, 133
holomorphic function 109
convergence 8, 45, 47, 48, 81, 95–100,
103
K-K relation 2
density matrix 9, 18, 79, 87 K-K relations 2, 3, 27, 29–31, 33–36,
dielectric function 2, 12, 16, 22, 23, 39, 42, 44–48, 71–73, 75–80, 83, 84,
26, 32, 33, 36, 37, 41, 120, 122–124, 87–90, 92–98, 101–104, 109, 111,
127, 128, 131 128, 129, 134, 137
effective 21, 23–25, 30, 125, 126 Kramers-Kronig Relations see K-K
dispersion relations 3, 27–30, 35, 39, relations
40, 71, 73, 75, 77, 78, 87, 88, 96, 97, Kramers-Kronig relations
109, 110, 112, 133, 134 Multiply Subtractive see MSKK
Singly Subtractive see SSKK
ellipsometry 42, 44, 117
error 44, 47, 48, 90, 92, 95, 96, 102, 104, Lagrangian 6, 7
106, 116, 117, 119, 126–128 laser 2, 3, 73, 76–79, 126, 129
160 Index

linear susceptibility 12, 16–18, 20, 25, polythiophene 93, 95–98, 100, 101
29–35, 46, 48, 78, 86, 106, 107 prism 24, 117, 119, 122–124
effective 25 pump-and-probe 72–77, 79–81, 89,
104, 109, 133
MATLAB 3, 137 susceptibility 72, 74–77, 79, 80
Maximum Entropy Method see MEM
Maxwell Garnett system see MG reflectance 2, 15, 23, 39–44, 47, 48,
MEM 115–117, 119–121, 124–126, 115–119, 121–124, 127–129, 131,
128–131, 134 133, 134
MG 21–26, 30, 34, 124, 125, 128 reflectivity 2, 24, 34, 35, 39–42, 46, 48,
MSKK 47, 48, 72, 83, 90, 91, 104 109, 115–117, 128, 131
refractive index 1, 25, 28, 35, 36, 39,
nanocomposite 23, 128
41–44, 47, 48, 117–121, 123–126
nanostructure 3, 21–27, 30, 31, 33, 46,
negative 39
135
residue 110–114
layered 22, 24–26, 30, 46
resonance 23, 79, 92, 103, 106, 111,
nonlinear susceptibility 71–75, 77–79,
120, 122–124, 128
92, 96, 101, 102, 104, 106, 109, 110,
115, 117, 128–130, 133, 134
spectroscopy
degenerate 115, 129
reflectance 39
effective 129, 130
reflection 2, 42, 47, 115, 117
holomorphic 109, 128
terahertz 3, 126
meromorphic 109, 134
transmission 1, 2
optics 2, 19, 23, 27, 33, 71–73, 79, 83, SPR 122–125
89, 90, 92, 109, 110, 112, 114, 133, squeezing procedure 120
134 SSKK 47, 90, 92, 101–104, 137
linear 2, 19, 23, 27, 33, 79, 89, 90, sum rule 101
109, 114, 133 sum rules 1–3, 27, 31, 33–35, 39, 45,
nonlinear 71–73, 83, 90, 92, 109, 46, 71, 72, 78–80, 83, 84, 87–90, 93,
110, 112, 134 98–101, 106, 109, 110, 112–114,
oscillator 117, 133, 134
anharmonic 87, 105, 107 surface plasmon resonance see SPR
Drude-Lorentz 33, 120
TE-polarized light 14, 24, 25, 41, 119
paper 119, 120 tensor 11, 12, 18, 30, 74, 77, 83, 89
phase retrieval 2, 3, 39–42, 47, theorem
115–117, 124, 128, 134, 135 Scandolo 73–76, 83, 84, 110, 133
polarization 5, 6, 9–13, 16, 19, 20, 29, superconvergence 31–34, 36, 45, 78,
30, 41, 77, 84, 85, 117, 122 80, 88, 90, 133, 134
linear 11, 12, 16 Titchmarsch 28, 29, 72, 74, 133
macroscopic 19, 20 TM-polarized light 14, 15, 25, 26, 41,
microscopic 19 42, 117, 122
nonlinear 77, 84, 85, 117 Toeplitz system 116
pole 28–30, 76, 77, 89, 90, 109–111, transform
114, 134 Fourier 5, 11, 12, 16–18, 28, 39, 85,
polysilane 94, 96, 97, 99, 101, 102, 115, 116, 126
128 Hilbert 2, 28–30, 74, 110, 111
Springer Series in
optical sciences
Volume 1
1 Solid-State Laser Engineering
By W. Koechner, 5th revised and updated ed. 1999, 472 figs., 55 tabs., XII, 746 pages

Published titles since volume 80


80 Optical Properties of Photonic Crystals
By K. Sakoda, 2nd ed., 2004, 107 figs., 29 tabs., XIV, 255 pages
81 Photonic Analog-to-Digital Conversion
By B.L. Shoop, 2001, 259 figs., 11 tabs., XIV, 330 pages
82 Spatial Solitons
By S. Trillo, W.E. Torruellas (Eds), 2001, 194 figs., 7 tabs., XX, 454 pages
83 Nonimaging Fresnel Lenses
Design and Performance of Solar Concentrators
By R. Leutz, A. Suzuki, 2001, 139 figs., 44 tabs., XII, 272 pages
84 Nano-Optics
By S. Kawata, M. Ohtsu, M. Irie (Eds.), 2002, 258 figs., 2 tabs., XVI, 321 pages
85 Sensing with Terahertz Radiation
By D. Mittleman (Ed.), 2003, 207 figs., 14 tabs., XVI, 337 pages
86 Progress in Nano-Electro-Optics I
Basics and Theory of Near-Field Optics
By M. Ohtsu (Ed.), 2003, 118 figs., XIV, 161 pages
87 Optical Imaging and Microscopy
Techniques and Advanced Systems
By P. Török, F.-J. Kao (Eds.), 2003, 260 figs., XVII, 395 pages
88 Optical Interference Coatings
By N. Kaiser, H.K. Pulker (Eds.), 2003, 203 figs., 50 tabs., XVI, 504 pages
89 Progress in Nano-Electro-Optics II
Novel Devices and Atom Manipulation
By M. Ohtsu (Ed.), 2003, 115 figs., XIII, 188 pages
90/1 Raman Amplifiers for Telecommunications 1
Physical Principles
By M.N. Islam (Ed.), 2004, 488 figs., XXVIII, 328 pages
90/2 Raman Amplifiers for Telecommunications 2
Sub-Systems and Systems
By M.N. Islam (Ed.), 2004, 278 figs., XXVIII, 420 pages
91 Optical Super Resolution
By Z. Zalevsky, D. Mendlovic, 2004, 164 figs., XVIII, 232 pages
92 UV-Visible Reflection Spectroscopy of Liquids
By J.A. Räty, K.-E. Peiponen, T. Asakura, 2004, 131 figs., XII, 219 pages
93 Fundamentals of Semiconductor Lasers
By T. Numai, 2004, 166 figs., XII, 264 pages
94 Photonic Crystals
Physics, Fabrication and Applications
By K. Inoue, K. Ohtaka (Eds.), 2004, 209 figs., XV, 320 pages
95 Ultrafast Optics IV
Selected Contributions to the 4th International Conference
on Ultrafast Optics, Vienna, Austria
By F. Krausz, G. Korn, P. Corkum, I.A. Walmsley (Eds.), 2004, 281 figs., XIV, 506 pages
Springer Series in
optical sciences
96 Progress in Nano-Electro Optics III
Industrial Applications and Dynamics of the Nano-Optical System
By M. Ohtsu (Ed.), 2004, 186 figs., 8 tabs., XIV, 224 pages
97 Microoptics
From Technology to Applications
By J. Jahns, K.-H. Brenner, 2004, 303 figs., XI, 335 pages
98 X-Ray Optics
High-Energy-Resolution Applications
By Y. Shvyd’ko, 2004, 181 figs., XIV, 404 pages
99 Mono-Cycle Photonics and Optical Scanning Tunneling Microscopy
Route to Femtosecond Ångstrom Technology
By M. Yamashita, H. Shigekawa, R. Morita (Eds.) 2005, 241 figs., XX, 393 pages
100 Quantum Interference and Coherence
Theory and Experiments
By Z. Ficek and S. Swain, 2005, 178 figs., approx. 432 pages
101 Polarization Optics in Telecommunications
By J. Damask, 2005, 110 figs., XVI, 528 pages
102 Lidar
Range-Resolved Optical Remote Sensing of the Atmosphere
By C. Weitkamp (Ed.), 161 figs., approx. 416 pages
103 Optical Fiber Fusion Splicing
By A.D. Yablon, 2005, 100 figs., approx. IX, 310 pages
104 Optoelectronics of Molecules and Polymers
By A. Moliton, 2005, 200 figs., approx. 460 pages
105 Solid-State Random Lasers
By M. Noginov, 2005, 149 figs., approx. XII, 380 pages
106 Coherent Sources of XUV Radiation
Soft X-Ray Lasers and High-Order Harmonic Generation
By P. Jaeglé, 2005, 150 figs., approx. 264 pages
107 Optical Frequency-Modulated Continuous-Wave (FMCW) Interferometry
By J. Zheng, 2005, 137 figs., approx. 250 pages
108 Laser Resonators and Beam Propagation
Fundamentals, Advanced Concepts and Applications
By N. Hodgson and H. Weber, 2005, 497 figs., approx. 790 pages
109 Progress in Nano-Electro Optics IV
Characterization of Nano-Optical Materials and Optical Near-Field Interactions
By M. Ohtsu (Ed.), 2005, 123 figs., XIV, 206 pages
110 Kramers–Kronig Relations in Optical Materials Research
By V. Lucarini, J.J. Saarinen, K.-E. Peiponen, E.M. Vartiainen, 2005,
37 figs., approx. IX, 170 pages
111 Semiconductor Lasers
Stability, Instability and Chaos
By J. Ohtsubo, 2005, 169 figs., approx. XII, 438 pages
112 Photovoltaic Solar Energy Generation
By A. Goetzberger and V.U. Hoffmann, 2005, 138 figs., approx. IX, 245 pages
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