World appl. programming, Vol(5), No (4), April, 2015. pp.

79-82

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World Applied Programming 2222-2510
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Study of the Optical Properties of Nanoparticles using Mie Theory

Hossein Ghaforyan
Department of Physics, Payame Noor University, P.O.BOX 19395-3697, Tehran, Iran.

Majid Ebrahimzadeh*
Department of Physics, Payame Noor University, P.O.BOX 19395-3697, Tehran, Iran.

Sara Mohammadi Bilankohi

Department of Physics, Payame Noor University, P.O.BOX 19395-3697, Tehran, Iran.

*Corresponding author: pasiran@gmail.com

Keywords Abstract
Optical Properties In this work, We study of the optical properties of nanoparticles using Mie theory. This famous theory is
Metal Nanoparticle suited to compute accurately the optical cross sections of a spherical particle. According to this theory, we
Mie Theory can calculate the place of surface plasmon resonance in optical spectra of spherical nanoparticle. We used
Scattering Matlab program for simulation of some optical properties like as scattering and extinction cross section
Absorption area and influence of nanoparticles. Results show that front surface located nanoparticles Ag and Au are
the most widely used materials due to their surface plasmon resonances located in the visible range and
therefore interact more strongly with the peak solar intensity.

1. Introduction
The optical properties of nanoparticles are highly dependent on the particle size, shape, chemical composition, and the local dielectric
environment. Therefore it is possible to selectively tune these properties to suit a given application. Scattering in the near-infrared (NIR) is
particularly desirable as this is where conventional light-trapping techniques for thin-film devices perform poorly. Although many studies have
explored the optical properties of metal nanoparticles using simulations, that are useful in applications including solar cell [1], imaging [2],
sensing [3] and constructing nanostructures [4]. Metal nanoparticles [4-6] are widely used to construct structures that possess unique electric,
photonic and catalytic properties such as local surface plasmon resonance [7, 812], surface-enhanced Raman scattering (SERS), and surface-
enhanced fluorescence (SEF) [13,14]. Compared with the bulk metal (such as gold and silver), metal nanoparticles show unique photonic,
electronic and catalytic properties [13] resulting from their size and shape as well as the dielectric constant of their surrounding environment
[14]. The collective excitations fluctuation in metal-dielectric interface is surface plasmons. When the frequency of the incident light to metal
nanoparticles equals to the surface plasmon frequency, the surface plasmon resonance occurs and depended to size and shape of metallic
nanoparticles. Surface plasmon resonance of metallic nanoparticles is one of the reasons of their unique optical properties [15]. Investigate the
relationship between the sizes of nanoparticle with surface plasmon frequency in simple shapes such as spherical shape of nanoparticles is
possible. The interaction of light with spherical shape metallic nanoparticles can be examined with the Mie theory [16]. According to this
theory, we can calculate the place of surface plasmon resonance in optical spectra of metallic spherical nanoparticle. In this paper, we used
Matlab program for simulation of some optical properties like as scattering and extinction cross section area and influence of embedded metal
nanoparticles on FeS2(Pyrite) solar cells.

2. Simulation Method
The solution of Maxwells equations for spherical particles (or infinitely long cylinders) is named after the physicist Gustav Mie [16]. The Mie
scattering theory allows describing the scattering of a plane monochromatic wave by a homogeneous sphere surround by a homogeneous
medium for any particle radius and of any material. It deals with the problem of the continuity of the tangent component of the total
electromagnetic fields fulfilling Maxwell's equations outside and inside the sphere. The fields outside the sphere include the incident field of the
plane light wave arriving from a distinct source not included in Maxwell equations. However, Mie scattering theory does not deal with the
problem of surface electron density oscillations (surface plasmons) coupled to surface localized electromagnetic fields, although usually
positions of successive peaks appearing in light scattering spectra of conducting particles obtained with Mie theory, are interpreted as directly
related to positions of surface plasmon resonances. Once the Mie coefficients are determined, we can calculate the extinction, absorption and
scattering cross sections or the electromagnetic fields inside and outside of the spherical particle. Mie theory codes were used to simulate the
optical properties of spheres nanoparticles.When the dimensions of the particles are smaller than the light wavelength it is possible to employ the
so-called quasistatic approximation. Otherwise if the investigated structures have spatial dimensions say 50 nm, we can connect the macroscopic
dielectric function with the microscopic polarizability .The elastic scattering of light can then be described in terms of Rayleigh scattering.
Expressing the dipole moment P through the local microscopic electric field on one hand, and connecting it with the dielectric function (through
D = E = E+4P) on the other hand, leads to the Clausius-Mossotti relation for spherical particles [16]:

= (1)

Where V is the volume and r is the effective dielectric function. The expressions for the scattering (Csca), absorption (Cabs) and extinction (C ext)
cross section then simply follow as:

8
= | | , =4 { }, = + (2)
3
 Hossein Ghaforyan, Majid Ebrahimzadeh *, Sara Mohammadi Bilankohi 80

World Applied Programming Vol(5), No (4), April, 2015.

3. Result
Figure 1 shows plots of extinction, scattering and absorption by 10 nm diameter metal nanoparicles, calculated using Mie theory. All of the
metals show a resonant extinction and absorbtion peak. Au gives the strongest optical response in 550nm wavelength, with an extinction cross
section area of nearly 510-17 m2. The shortest wavelength peak is observed for Al at 300 nm with 1.310-18 m2. The extinction spectra of Al, Pt,
Ni and Cu are very similar, with a similar spectral position and overall efficiency. However, the scattering and absorption spectra of these metals
are markedly different. While most of the metals have near zero scattering at wavelengths below than 800 nm, due to inter-particle transitions.
An additional minor peak is also seen for Cu at around 630 nm, due to a narrow inter-band region in this region of the spectrum. Cu peak is
markedly different to the other metals. The resonant peaks of 10 nm diameter particles of both Au and Cu metals are spectrally very close to
their respective interband thresholds. As such, the resulting localized surface plasmon resonances are substantially damped. Increasing the
particle size red-shifts the localized surface plasmon resonance wavelength, and so enables investigation of the effect of metal choice for a
different part of the spectrum. The extinction, scattering and absorption spectra of 100 nm diameter nanoparticles of each metal are given in
Figure 2. The absorbtion parameter is generally weaker, broader and red-shifted in comparison with the 10 diameter spheres. The strongest
optical cross section is still found for the Ag nanosphere, but the extinction cross section area has increased to 5.810-14 m2 in comparison to the
10 nm sphere. Au, Cu and Ni see a sharp rise in absorption below their respective interband transition thresholds, but otherwise exhibit a high
radiative efficiency. Nanoparticles of all metals can be used in sub-monolayers while maintaining 100% optical interaction. Therefore Pt, and Ni
are most likely not suitable for use in scattering-based applications. We present them here only as an indication of the optical properties of free-
electron metals. Therefore, of the metals studied only Ag, Au, Cu and Al are promising candidates for solar cell applications.

-1 7 -1 8
Scattering,Absorbtion and Extinction Cross Section Area(m^2)

Scattering,Absorbtion and Extinction Cross Section Area(m^2)

6.0x10 3.0x10
Au (d=10nm) Al (d=10nm)
5.5x10
-1 7 Extinction 2.8x10
-1 8
Extinction
-1 7
Scattering 2.6x10
-1 8
Scattering
5.0x10 -1 8
Absorbtion 2.4x10 Absorbtion
-1 7
4.5x10 2.2x10
-1 8

-1 7 -1 8
4.0x10 2.0x10
-1 8
3.5x10
-1 7 1.8x10
-1 8
-1 7
1.6x10
3.0x10 -1 8
1.4x10
-1 7
2.5x10 1.2x10
-1 8

-1 7 -1 8
2.0x10 1.0x10
-1 9
1.5x10
-1 7 8.0x10
-1 9
-1 7
6.0x10
1.0x10 -1 9
4.0x10
-1 8
5.0x10 2.0x10
-1 9

0.0 0.0
400 600 800 1000 1200 400 600 800 1000 1200
Wavelength(nm) Wavelength(nm)

-1 7 -1 6
Scattering,Absorbtion and Extinction Cross Section Area(m^2)

Scattering,Absorbtion and Extinction Cross Section Area(m^2)

4.0x10 3.0x10
CU (d=10nm) Ag (d=10nm)
Extinction 2.8x10
-1 6
Extinction
-1 7
3.5x10 Scattering 2.6x10
-1 6
Scattering
-1 6
Absorbtion 2.4x10 Absorbtion
-1 7
3.0x10 2.2x10
-1 6

-1 6
2.0x10
-1 7
2.5x10 -1 6
1.8x10
-1 6
-1 7
1.6x10
2.0x10 -1 6
1.4x10
-1 6
-1 7 1.2x10
1.5x10
-1 6
1.0x10
-1 7
1.0x10
-1 7 8.0x10
-1 7
6.0x10
-1 8 -1 7
5.0x10 4.0x10
-1 7
2.0x10
0.0 0.0
400 600 800 1000 1200 400 600 800 1000 1200
Wavelength(nm) Wavelength(nm)

-1 7 -1 7
Scattering,Absorbtion and Extinction Cross Section Area(m^2)

Scattering,Absorbtion and Extinction Cross Section Area(m^2)

3.0x10 3.0x10
Ni (d=10nm) Pt (d=10nm)
2.8x10
-1 7
Extinction 2.8x10
-1 7
Extinction
2.6x10
-1 7
Scattering 2.6x10
-1 7
Scattering
-1 7 -1 7
2.4x10 Absorbtion 2.4x10 Absorbtion
-1 7 -1 7
2.2x10 2.2x10
-1 7 -1 7
2.0x10 2.0x10
-1 7 -1 7
1.8x10 1.8x10
-1 7 -1 7
1.6x10 1.6x10
-1 7 -1 7
1.4x10 1.4x10
-1 7 -1 7
1.2x10 1.2x10
-1 7 -1 7
1.0x10 1.0x10
-1 8 -1 8
8.0x10 8.0x10
-1 8 -1 8
6.0x10 6.0x10
-1 8 -1 8
4.0x10 4.0x10
-1 8 -1 8
2.0x10 2.0x10
0.0 0.0
400 600 800 1000 1200 400 600 800 1000 1200
Wavelength(nm) Wavelength(nm)

Figure 1. Simulated optical extinction (black lines), scattering (red lines) and absorption (green lines) efficiencies of 10 nm diameter metal spheres.

3.1 Influenced of metal nanoparticle embedded on FeS2(Pyrite) Solar Cells

Pyrite, formally known as Iron disulfide, is the most abundant naturally occurring of the sulfide minerals. It has a crystal structure that
resembles the fluorite structure. Iron disulfide has a yellow-brass, metallic luster that is sometimes incorrectly recognized as gold. Due to this
mistaken identity it is often referred to as fools gold.As the result of sparks generated when struck against metal, pyrite was used as a source
of ignition for early firearms. Pyrite is also used for commercial production of sulfur dioxide, which is used in the paper industry as well as in the
manufacture of sulfuric acid. Fools gold also has applications in jewelry, mineral detection in radio receivers, and photovoltaics [17]. We
considered the metal nanoparticles are on FeS2 surface (figure 3). Figure 4 shows the calculated extinction spectrum of a 60 nm diameter Ag
and Au nanosphere embedded in FeS2 .
81 Study of the Optical Properties of Nanoparticles using Mie Theory

World Applied Programming Vol(5), No (4), April, 2015.

-1 4 -1 4

Scattering,Absorbtion and Extinction Cross Section Area(m^2)

Scattering,Absorbtion and Extinction Cross Section Area(m^2)

7.0x10 5.0x10
Au (d=100nm) Al (d=100nm)
Extinction -1 4
Extinction
4.5x10
6.0x10
-1 4 Scattering Scattering
-1 4
Absorbtion 4.0x10 Absorbtion
-1 4
5.0x10 -1 4
3.5x10
-1 4
-1 4 3.0x10
4.0x10
-1 4
2.5x10
-1 4
3.0x10 -1 4
2.0x10
-1 4
2.0x10
-1 4 1.5x10
-1 4
1.0x10
-1 4
1.0x10
-1 5
5.0x10

0.0 0.0
400 600 800 1000 1200 400 600 800 1000 1200
Wavelength(nm) Wavelength(nm)

-1 4 -1 4
Scattering,Absorbtion and Extinction Cross Section Area(m^2)

Scattering,Absorbtion and Extinction Cross Section Area(m^2)

3.0x10 5.0x10
Ni (d=100nm) Cu (d=100nm)
2.8x10
-1 4
Extinction -1 4
Extinction
4.5x10
2.6x10
-1 4
Scattering Scattering
-1 4 -1 4
2.4x10 Absorbtion 4.0x10 Absorbtion
-1 4
2.2x10 -1 4
-1 4 3.5x10
2.0x10
-1 4 -1 4
1.8x10 3.0x10
-1 4
1.6x10 -1 4
-1 4 2.5x10
1.4x10
-1 4 -1 4
1.2x10 2.0x10
-1 4
1.0x10 -1 4
-1 5 1.5x10
8.0x10
-1 5 -1 4
6.0x10 1.0x10
-1 5
4.0x10 -1 5
-1 5 5.0x10
2.0x10
0.0 0.0
400 600 800 1000 1200 400 600 800 1000 1200
Wavelength(nm) Wavelength(nm)

-1 4 -1 4
Scattering,Absorbtion and Extinction Cross Section Area(m^2)

Scattering,Absorbtion and Extinction Cross Section Area(m^2)

6.0x10 4.0x10
Ag (d=100nm) Pt (d=100nm)
5.5x10
-1 4 Extinction Extinction
-1 4
-1 4
Scattering 3.5x10 Scattering
5.0x10
Absorbtion Absorbtion
-1 4 -1 4
4.5x10 3.0x10
-1 4
4.0x10
-1 4
-1 4
2.5x10
3.5x10
-1 4 -1 4
3.0x10 2.0x10
-1 4
2.5x10
-1 4
1.5x10
-1 4
2.0x10
-1 4 -1 4
1.5x10 1.0x10
-1 4
1.0x10
-1 5
5.0x10
-1 5
5.0x10
0.0 0.0
400 600 800 1000 1200 400 600 800 1000 1200
Wavelength(nm) Wavelength(nm)

Figure 2. Simulated optical extinction (black lines), scattering (red lines) and absorption (green lines) efficiencies of 100nm diameter metal spheres.

Figure 3. Schematic on metal nanoparticles on FeS2 surface.

4. Conclusion
The simulations presented are for the case of spherical nanoparticles, which are valid for randomly orientated arrays of nanoparticles with inter-
particle spacing greater than the particle size. We expect some deviation from these results for moderately high surface coverage but a full study
of these effects is beyond the scope of this work. A red-shifting of the extinction peak is expected for inter-particle spacing of the order of the
particle diameter or less. Also, for solar cell applications, we need high scattering and low absorption across the solar spectrum. Scattering in the
near-infrared (NIR) is particularly desirable in solar cell, because this property lead to produce current at night too.
 Hossein Ghaforyan, Majid Ebrahimzadeh *, Sara Mohammadi Bilankohi 82

World Applied Programming Vol(5), No (4), April, 2015.

3.0x10
-14 4.00E-014

Scattering,Absorbtion and Extinction Cross Section Area(m^2)

Scattering,Absorbtion and Extinction Cross Section Area(m^2)
-14
2.8x10
Au (d=60nm) 3.50E-014 Ag (d=60nm)
2.6x10
-14
Extinction Extinction
-14
2.4x10 Scattering Scattering
-14 3.00E-014
2.2x10 Absorbtion Absorbtion
-14
2.0x10
-14
2.50E-014
1.8x10
-14
1.6x10
-14
2.00E-014
1.4x10
-14
1.2x10 1.50E-014
-14
1.0x10
-15
8.0x10 1.00E-014
-15
6.0x10
-15
4.0x10 5.00E-015
-15
2.0x10
0.0 0.00E+000
400 600 800 1000 1200 400 600 800 1000 1200
Wavelength(nm) Wavelength(nm)

Figure 4. Simulated optical extinction (black lines), scattering (red lines) and absorption (green lines)
efficiencies of 60 nm diameter metal spheres embedded on FeS2 solar cells.

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