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Theoretical model
The Lorentz classical theory (1878) is based on the
classical theory of interaction between light and matter
and is used to describe frequency dependent polarization due to bound charge. The bindings between electrons and nucleus are supposed to be similar to the
that of a mass-spring system.
r
r
e Eloc
1
(2)
r ( ) = 2
m t 2 + i 0
Amplitude
Phase
OSCILLATOR
DISPLACEMENT
<<t
Fig. 1 Restoring force between the orbiting electron
and the atomic centre (Ref. 4).
>>t
At low frequencies <<t, the amplitude r has a medium finite value and is in phase with E.
At the resonance frequency t the amplitude is
imaginary and maximum when denominator is minimum. More, at t there is a 90 phase shift between E and r.
At high frequencies >>t, the amplitude r vanishes.
TN08
Driving Force
Frequency
<<t
~
() = 1 + ( ) = 1 +
[(
( ) =
e2
1
(4)
2
2
m t + i 0
P( ) = N ( ) E ( ) = 0 ( ) E ( ) (5)
Atom
(7 )
The limits s and of the dielectric function respectively at low and high frequencies are given by:
>>t
Time
p2
t2 2 + i 0
p2
~
s = ( 0 ) = 1 + 2
t (8)
= ~
( ) = 1
The complex dielectric function can also be expressed
in terms of the constants s and by substituting
equations (8) into (7) which yields the following equation:
~ ( ) = +
( s ) t2
t2 2 + i 0
(9)
p2
t2
Lorentz model describes radiation absorption due to inter-band transitions (quantum-mechanical interpretation). Interband transitions are transitions for which the
electron moves to a final state corresponding to a different band without changing its k-vector in Brillouins
first zone.
Atom in E-field
If there is more than one oscillator, the dielectric function is assumed to be equal to the sum of contributions
from individual oscillators. This situation fits better to
the case of real materials.
In DeltaPsi2 software, the mathematical formulation
used for a collection of:
- three Lorentz oscillators is:
~ ( ) = +
Fig. 4 Polarization of the electronic cloud due to external E-field.
(Hecht, Ref. 3)
( s ) t2
t2 2 + i 0
f j 02 j
j =1
oj2 2 + i j
f j 02 j
j =1
oj2 2 + i j
~
() = +
TN08
Parameter set up
Note that:
1. The Lorentzian dielectric function is available in the
Classical dispersion formula in the DeltaPsi2 software.
2. The sign before a given parameter means that
either the amplitude or the broadening of the peak
is linked to that parameter.
3. For each multiple oscillator the graphs show the different contributions (in red dashed lines) of the N
Lorentzian oscillators to the imaginary part of the
Lorentz dielectric function (in red bold line).
> Transparent Lorentz function
- This function exhibits no absorption: 0=0.
- This case corresponds to normal dispersion where
r() increases with photon energy.
TN08
Applications to materials
The Lorentz oscillator model is applicable to insulators.
It describes well for example the behaviour of a transparent or weakly absorbent material (insulators, semiconductors). The spectral range of validity of the
Lorentz formula depends on the material but usually
the fit is performed over the region <t for the single
Lorentz oscillator and <i in case of multiple oscillators where i is the transition energy of the oscillator of
highest order.
tt
0
ss
Materials
?
S. R. (eV)
AlAs
AlGaN
AlN
Al 2O3
Al xOy
Aminoacid
Au disc
Biofilm
CaF2
CrO
Red Color
Filter
GaAs Ox.
GeOx
H2O
HfN
HfO2
HMDS
ITO
o - LaF3
e - LaF3
LiGdF4:Eu3+
LiNbO3
LTO
MgF2
MgO
NBF3
NiO
1.0
1.0
1.0
1.0
1.0
1.0
1.0
1.0
1.0
0.687
8.27
4.6
4.306
2.52
3.171
1.486
2.409
2.12
2.036
3.1
4.519
7.22
8.916
12.218
12.866
14.822
1.628
12.0
15.64
8.0
0.378
0.127
0
0
0.861
0
0.708
0
0
1.694
0-3
0.6 - 4
0.75 - 4.75
0.6 - 6
0.6 - 6
1.5 - 5
1.0
2.497
5.278
0.65 - 2
2.411
1.0
1.0
1.0
1.0
1.0
1.0
1.0
1.0
3.186
2.645
1.687
3.633
2.9
2.1
3.5
2.546
2.521
5.855
16.224
11.38
8.452
9.4
12.0
6.8
14.098
16.842
0.131
0.463
0
0
3.00
0.500
0.637
0.177
0.670
0.75 - 4.75
0.6 - 4
1.5 - 6
1.0
1.0
1.0
1.0
11.232
1.0
1.0
2.256
5.0
2.204
1.899
2.599
2.503
121.480
16.594
12.0
13.784
16.691
1.0
13.911
3.470
8.416
0
0
0
0
0
0.360
1,0 - 6.5
1.5 - 5
0.75 - 4.75
1.5 - 6
1.5 - 6.5
1.5 - 6
0.75 - 4.75
0.75 - 4.75
0.8 - 3.8
1.5 - 5.5
TN08
CuPc
Green Color
Filter
Pentacene/Si
1.800
2.481
1.834
f1
0.140
0.00623
1.093
0,1
2.000
1.687
1.981
0.130
0.122
0.207
f2
0.400
0.0170
-1.539*
0,2
3.700
1.868
1.982
Materials
ss
tt
S. R. (eV)
PEI
PEN
PET
PMMA
Polycarbonate
Polymer
PP
p-Si
Spincoated
Polystryol
PTFE
PVC
Quartz
Resist
Sapphire
a-Si : H
a-Si
SiC
SiN
Si 3N4
SiO2
SiO2 doped
As
SiOxCHy
SiON
SnO2
Ta 2O5
TiOx
YAG:Tb(10%)
Y2O3
ZrO2
1.0
1.0
1.0
1.0
2.09
2.466
3.2
2.17
12.0
4.595
7.0
11.427
0
0
0
0
0.75 - 4.75
1.5 - 3.2
0.75 - 4.55
1.0
2.504
12.006
1.5 - 4
1.0
1.0
1.0
2.3
2.16
12.0
12.0
8.579
4.0
5.0
0.065
0.5
0.75 - 4.75
1.5 - 6.5
1.5 - 5
1.0
2.25
8.0
1.5 - 5
1.0
1.0
1.0
1.0
1.0
3.22
3.109
3.0
2.320
1.0
1.0
1.7
2.304
2.264
2.189
3.09
15.53
17.68
6.8
3.585
5.377
2.12
16.481
12.211
11.26
10.814
13.259
3.71
3.93
8.0
6.495
3.186
12.0
0
0
0
0.334
0
2.14
1.92
0
0.398
1.787
0.1
1.5 - 6.5
1.5 - 4.75
0.900
0.127
0.164
f3
0.140
0.00825
0.579
1.5 - 6.5
1.5 - 5.5
1.5 - 6
1.5 - 6
0.6 - 4
0.6 - 6
1.5 - 5.5
0.7 - 5
0,3
1.700
2.648
1.982
0.150
0.0717
0.133
f4
0.130
0.0109
1.524
0,4
2.550
2.789
3.100
0.950
0.162
11.005
1.0
2.154
11.788
1.8 - 5
1.0
1.0
3.156
1.0
0.290
1.0
1.0
1.0
2.099
2.342
3.995
4.133
3.820
2.545
2.715
3.829
13.444
10.868
4.786
7.947
6.50
10.342
9.093
9.523
0
0
1.236
0.814
0
0.793
0
0.128
1.45 - 2.75
0.75 - 3
0.75 - 4
0.6 - 3
1,0 - 6.5
1.55 - 4
1.5 - 3
Parameters
References
1)
2)
3)
4)
5)
This document is not contractually binding under any circumstances - Printed in France - 09/2006