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Multi-variant Dimensions of Scientific Research ISBN: 978-93-93166-35-7 For verification of this chapter, please visit on http://www.socialresearchfoundation.com/books.php#8 |
Numerical Methods for the Calculation of Band Structure in Photonic Bandgap Materials |
Amit Srivastava
Professor
Physics
TDPG College, VBS Purvanchal University
Jaunpur, U.P., India
Sudesh Kumar Singh
Associate Professor
Physics
TDPG College, VBS Purvanchal University
Jaunpur, U.P., India
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DOI:10.5281/zenodo.10432614 Chapter ID: 17524 |
This is an open-access book section/chapter distributed under the terms of the Creative Commons Attribution 4.0 International, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited. |
Since
the concept of photonic crystals (PCs) was theoretically proposed by
Yablonovitch [1] and John [2] in 1987, it has gathered a considerable attention
of the researchers and over the last couple of decades, the advancement in
photonic crystals research has established the fact that photonics technologies
have been playing a major role in the rapid development of information and
communications technology [3, 4]. Moreover, due to their fascinating unique
characteristics, PCs have gone far beyond the realization of low-threshold
lasers, low-loss resonators, optical switches, waveguides, and optical fibers,
gas sensing to optical filters, photonic papers, inkless printing, and
reflective flat displays, with innovative sensing designs for environmental
monitoring, medical diagnosis, defense, and food quality control [5, 6]. Photonic
crystals are microstructural optical materials with a spatial periodicity of
their dielectric constant on a wavelength scale, that interact with light in a
manner analogous to that in which crystal lattices interact with electrons. The
essential property of these structure is the existence of allowed and forbidden
frequency bands for light, in analogy to the energy bands and band-gaps of
semiconductors. This suggests that the propagation of light within the
frequency range of the photonic band gap (PBG), will be forbidden [1].
Nevertheless, the periodicity of this dielectric structure will be broken, if
some defects are introduced in PCs, which makes it possible for PCs to present
strong electromagnetic field confinement, small mode volume, and low extinction
loss [2]. On the other hand, by adjusting the structural parameters of PC or
infiltrating suitable materials in the air holes of PC, the propagation of
light can be modified and engineered as desired. Therefore, many PC based
devices have been widely used in the applications of light flow control, such
as filters [7, 8], electro-optical modulators [9, 10], switches [11, 12], and
delay devices [13]. Specially, PC based sensors seem to be much more popular
due to their promising characteristics like ultra-compact size, high
measurement sensitivity, flexibility in structural design, and more suitable
for monolithic integration [14-16]. Besides, the PC based sensors can also
inherit the favorable characteristics of optical sensors, such as safety in flammable
explosive environment, immunity to electromagnetic interference, long-distance
monitoring, and rapid response speed. Photonic
Crystals A
photonic crystal (PC) is a periodic structured material that exhibits strong
interaction with light. It is composed of a multilayer stack of alternating
high and low index of refraction dielectric materials. Strong interaction with
the light occurs in such a material due to interference of the reflected and
refracted light at all interfaces inside the material. The complex pattern of
superimposing beams will reinforce or cancel out one another according to the
wavelength of light, direction of incidence, refractive index, size and
arrangement of the building stacks. Due to this, one can find a frequency band
for which the propagation of light is forbidden in a certain direction (Fig.1).
The forbidden frequency region is called photonic band gap [7].
PC like structure can be
observed in the nature in the skins and furs of small creatures. For example,
the Butterfly wing of the mitouragrynea produces a greeny blue iridescent
reflection depending on the angle from which it is viewed (Fig. 2). A photonic 3D square lattice structure was
found to be the origin of the
effect in regions of the wings that exhibits these properties. Some more
examples of the photonic crystals in the Nature are like the wings of some
Coleopterans built by stacking periodic layers of organic materials or like
pearls in which organic and inorganic layers are alternate. Some Mexican and
Australian opal gemstones (minerals), whose surfaces present periodic stacks of
the silica particles, are the other visible examples. Some other materials like
colloids or polymers also present spontaneously organized structures. Origin of the
Photonic Band gap Photonic crystals, like the familiar crystals of atoms, do not have continuous symmetry; instead, they have discrete translational symmetry. Thus, these crystals are not invariant under translations of any distance, but only under distances that are multiple of a fixed step length. This basic step length is the so-called lattice constant ‘a’, and the basic step vector is called primitive lattice vector ‘a’. Because of this symmetryfor any R that is integral multiple of ‘a’. The dielectric unit that is repeated over and over is known as the unit cell. The discrete periodicity in a certain direction leads to a dependence of H for that direction that is simply the combination of plane waves, modulated by a periodic function because of the periodic lattice:
where, uk(r) is periodic in the real space lattice. This result is commonly known as Bloch’s theorem and the form of above equation is known as Bloch state. The wave vectors kr that differ by integral multiples m of 2π/a are not different from a physical point of view. In fact, all the modes with wave vector of the that can be solved numerically for all k in the first Brillouin zone, resulting in an infinite set of modes with discretely spaced frequencies labeled with the band index n. In this way, we array at the description of the modes of the photonic bands wnk of the crystal: they are a family of continuous functions, indexed in order of increasing frequency by the band number. The information contained in these functions is called the band structure of the photonic crystal. The optical properties of the crystals can be predicted by studying the band structure of a crystal.
Fig. 3 Energy dispersion relations for free
electron (left) and for electron in a 1D solid (right), and for a free photon
(left) and a photon in a photonic crystal (right). The above
figure shows the parallelism between electrons in crystalline solids and
photons in photonic crystals. The energy dispersion relation for an electron in
vacuum is parabolic with no gaps. When the electron is under influence of a
periodic potential, gaps are found and electrons with energies therein have
localized (non-propagating) wave functions as opposed to electrons in allowed
bands which have extended (propagating) wave functions. Similarly, a periodic
dielectric medium will present frequency regions where propagating photons are
not allowed and will find it impossible to travel through the crystal. One
important difference between electrons and photons rests on the different
nature of their associated waves. Electrons are scalar waves, while photons are
vectorial ones. This implies that polarization must be taken into account while
dealing with photons. Important
Crystal Parameters The Parameters
on which the optical features of a photonic crystal will depend are indicated
below- 1. The type of
symmetry of the structure- The position of the building blocks of the PCs will
set the symmetry of the lattice. Its examples are the sc (simple cubic), bcc,
fcc, hcp and diamond structures. 2. Topology- It
can be varied by interpenetrating the building blocks (network topology) or
isolating them (cermet topology). Economou and Sigalas have published a general
discussion about topologies in PBG theory. 3. Lattice
Parameters- It is the distance of separation between scattering building
blocks. The working range of wavelength of the PC will be proportional to the
lattice parameter. 4. Filling
fraction- It is the ratio between the volumes occupied by each dielectric with
respect to the total volume of the composite. 5. Refractive
index contrast (δ) - It is defined as the ratio between the refractive index of
the high dielectric constant material and the low dielectric constant material. 6. The shape of
the scattering centers. 7. Scalability. 8.
Dimensionality- PCs are categorized as one-dimensional (1-D), two-dimensional
(2-D) and three-dimensional (3-D) crystals according to the dimensionality of
the building stacks (Fig.4). 1-D PC consists
of alternating layers of the materials having low and high indices of
refraction and the dielectric constant is modulated along only one direction.
1-D photonic crystal can be fabricated on a needed wavelength scale easily and
cheaply. One dimensional photonic crystal can be used as omnidirectional
totally reflecting mirrors, frequency filters, microwave antenna substrates and
enclosure coatings of waveguide etc. Its applications depend on the chosen
geometry and frequency regions [8-10]. In the 2-D
photonic crystals, the dielectric constant is periodic in one plane and extends
to infinity in the third direction. These include quadratic, hexagonal and
honeycomb types of lattices. The 2-D PCs are less difficult to fabricate in
comparison to the three-dimensional dielectric arrays. The observation of some
fundamental phenomenon, such as Anderson localization of light, may be easier
in 2D structures [11]. In a 2D dielectric array, the two orthogonally polarized
waves, one with its E-field polarized in the 2D-plane (TE-mode) and the other
with its E-field polarized perpendicular to the 2D-plane (TM-mode) have very
different dispersion [12]. Because of this a “complete photonic band gap” i.e.,
a frequency region in which the propagation of EM wave is completely forbidden
for all-directions of propagation and polarization, is less likely to form.
Reason for this is the band gap for individual polarization is unlikely to
overlap. Many researchers have concluded that the hole array structures are
more likely to generate a complete gap than the usual rod array structures [12,
13] in 2-D photonic crystals. Also, the thin semiconductor layers are
recognized as very attractive candidates in order to achieve light molding in a
planar photonic integrated circuit. These structures are obtained by drilling a
triangular array of holes in the layered structures [14-15]. In the recent
years, the uses of 2D PCs have been widely explored in order to improve the
overall performance of optoelectronic devices [15-20]. For example, 2D photonic crystal micro-lasers
already rival the best available micro cavity lasers both in size and
performance. In the 3-D PBG structures, refractive index modulation is periodic along all the three directions. These types of materials facilitate complete localization of light and provide complete inhibition of spontaneous emission of light from atoms, molecules and other excitations. Such feedback effects have important consequences on laser action from a collection of atoms. The 3D-Photonic crystals such as the inverse opals exhibit frequency ranges over which the ordinary linear propagation is forbidden irrespective of the direction [21, 22]. The existence of these complete photonic band gaps allows the complete control over the radiative dynamics of active material embedded in photonic crystals such as the complete suppression of spontaneous emission for atomic transition frequencies deep in the PBG. In 3D-PBG structures a large number of self-assembling periodic structures already exist. These include colloidal systems and artificial opals [23, 24]. A face centered cubic lattice consisting of low dielectric inclusions in a connected high dielectric network, called inverse structure, can exhibit small photonic band gap [25]. The “wood pile” structure also represents a 3D-PBG structure that is built by the layer-by-layer fabrication technique [26]. Recently, Kosaka et al. [27-29] demonstrated highly dispersive photonic microstructures in a 3D- photonic crystal, which was termed as optical super prism. Superprism effect allows wide-angle deflection of the light beam in a photonic crystal by a slight change of the wavelength or incident angle. A recent study of super prism effect is done by T. Baba and M.Nakamura [30]. Fig. 4 Schematic depictions of photonic
crystals periodic in one, two, and three dimensions, where the periodicity is
in the material structure of the crystals. Theoretical Formalism:
Maxwell on a Lattice
In the photonic crystals, the electromagnetic wave interacts at the interfaces of the building blocks. Maxwell’s equations can be used to predict the photonic behavior of light propagating in the structure in terms of Bloch functions, band structures and band gaps [30-32], In the above equations, are the electric field vector and magnetic field vector respectively. Electromagnetic field is described by these two field vectors. (Electric displacement) and (magnetic induction) are introduced to include the effect of the field on matter. The quantities p (electric charge density) and (current density) may be considered as the sources of the fields. These equations completely determine the electromagnetic field.
Maxwell’s equations can not be solved uniquely unless the relationship between are known to obtain a unique determination of the field vectors because these consist of 8 scalar equations that relate a total of 12 variables, 3 for each of the 4 vectors. The material equations are, where e and m are known as the dielectric tensor (or permittivity tensor) and the permeability tensor (of rank 2) respectively, are electric and magnetic polarization, respectively. The electric field can perturb the motion of electron and produce a dipole polarization per unit volume. The magnetic field can also induce a magnetization in materials having a permeability which is different from m0. The constant e0 (permittivity of a vacuum) has a value of 8.854 ´10-12 F/m. The constant 0 (permeability of a vacuum) has the exact value of 4p ´ 10-7 H/m. For the isotropic medium, both e and m tensors reduce to scalars. The quantities are assumed to be independent of the field strengths. But for the sufficiently strong field, the dependence of these quantities on and must be considered. Throughout this
thesis, linear dielectric materials (=
0) are considered that are independent of and non-magnetic (= 0), are also zero. We have,. However, for the most dielectric materials
of interest, the magnetic permeability is very close to unity and we may
set,.
The electric field E and the magnetic field H can be written as product of a function of the position and a function depending only on the time as, The Helmholtz
equation (15 or 16) is the governing equation for the electromagnetic phenomenon in the photonic crystal
structure with different material constituents. The reflection and transmission
coefficients of the electromagnetic wave at the dielectric interfaces between
the layers can be calculated by using the continuity relationship of some of
the components of field vectors at the dielectric boundary. This continuity
condition can be derived directly from Maxwell’s equations. Since the
electromagnetic phenomenon in a dielectric medium have no fundamental length
scale, the coefficients of the Helmholtz equation do not have length as its
dimension. Due to this, the electromagnetic problems that differ only by an
expansion or a contraction can be considered to be the same problem. This
indicates that the master equation with its coefficients can be normalized with
respect to a reference (length) parameter. Calculation of
Band Structure of the Photonic Crystals
The calculations on photonic crystals (PCs) are similar to the calculation on atomic crystals. In case of an atomic crystal, the Schrödinger equation is fundamental, in which the atomic crystal is described by periodicity of the atomic potential. For the photonic crystals, the eigen value problem is to solve the master equation which comes from a combination of the Maxwell’s equations (3 and 4). The operator in the left part of equation (19) is Hermitian for lossless material (e is purely real), which gives a set of orthogonal eigenstates as the solution. If there is a periodicity in e such that Numerical
Methods for the Calculation of Band Structure of Photonic
Crystals Photonic
crystals are studied numerically by the six main methods: (a) The Plane
Wave Method, (b) the Finite Difference Time Domain (FDTD) method, (c) the
Finite Element method, (d) the Transfer Matrix Method (TMM), (e) a method based
on a rigorous theory of scattering by a set of rods (for a two-dimensional
crystal), or a set of spheres (for a three-dimensional crystal), and (f) the
study of diffraction gratings [35- 41]. All of these
methods calculate with high efficiency and accuracy and are in good agreement
with experimental results. These methods are chosen according to the problem
tackled. Some of these methods like methods (a to d) can simulate any doped or
nondoped crystals [35-38] as they are highly flexible. Method (e) is limited to
certain types of PCs that are parallel cylinders (for 2d photonic crystals) and
spheres (for 3d) [39, 40]. Some of these methods as (a, d and f) can deal only
with infinite crystals [35, 38, 41] and method (e) only with finite-sized
structures [39, 40]. Finally, methods (a, d and f) use a super-cell to study
the defect structures. On the contrary, methods (b, c and e) can deal with a
finite structure having a single defect. In the following sections, we outline
briefly the main numerical methods used to study photonic crystal properties. The Plane Wave
Expansion method is very easy to implement and obtain the band structure when
the direction is specified. The codes give all the propagating/evanescent
energies for that direction. A defect in the infinite photonic crystal will be
treated using a super-cell. Many results have been obtained with this method
[42-44]. The limitation of the method is linked to the memory storage that
depends on the number of plane waves used for the expansion of the field, and
this number escalates when the photonic crystal diverges from a periodic
structure. The calculation of sophisticated defects is not possible by this
method. The FDTD method
analyses the Maxwell’s equations in time domain and the results are in good
agreement with experimental measurements as found in [45-47]. Many works on
photonic crystals have been reported using this method. As for the Finite
Element method, electromagnetic modes of a defect can be calculated as the
transmission ratio of the material. To obtain the transmission spectrum of the
crystal, an electromagnetic pulse is sent on the material and the output signal
is recorded. A fast Fourier transform is applied to both incident and
transmitted signals and the transmission spectrum is calculated. The Finite
Difference Time Domain method allows the simulation of finite or infinite
crystals with inner or outer electromagnetic sources. In some cases, this
method permits the simulation of an entire experimental setup with a photonic
crystal. Results of this experiment are then analyzed. This is the most common
technique to simulate a photonic crystal. The limitation of this method is the
size of the memory to calculate a large crystal and the lack of an accurate
electromagnetic model for some particular objects like thin wires for example.
Another advantage of this method is the attractive capability to simulate
nonlinear materials [36]. The Finite
Element method is well established in electrodynamics and has the great
advantage to be implemented in very efficient commercial software’s as MAFIA,
HFSS etc. It can simulate infinite and finite doped or non-doped crystals with
inner or outer source. The Transfer
Matrix Method (TMM) is well described [38]. The TMM consists on writing the
Maxwell’s equations in the k-space and rewriting them on a mesh. It is capable
of handling PBG materials of finite thickness with layer-by-layer calculations.
Structures with defects can be dealt only by considering a super-cell. The band
structures, reflectivity and transmission coefficients can be found by this
method easily. Many researchers have used this method [48-50]. It has also
proved very useful and accurate when comparisons with experimental structures
are undertaken [49, 50]. The limitations of this method are the memory storage
but also it is difficult to deal with geometry different from the cubic
geometry. Many working
groups implement the method based on the rigorous scattering of light by a set
of finite sized cylinders/spheres [39, 40]. The main advantage of this method
is that cylinders/spheres can be located anywhere in the space. Accordingly, a
periodic arrangement is just a particular case and it is possible to deal with
a single defect without the need of a super-cell. Also, it is very simple to
change the geometry of the structure, although, limitations are linked to the
size of the memory because a large number of cylinders have been implemented
(about one hundred). The use of
diffraction gratings theory [41] allows the calculation of reflection and
transmission coefficients of a photonic crystal constituted by a stack of a
finite number of infinite grating layers. The method can deal only with an
infinitely long cavity as a defect for the structure. But this method can not
simulate new PBG materials that are sophisticated doped and active structures. We have adopted
the TMM method for photonic band gap structure calculations and optical
properties of one-dimensional photonic crystals are studied. Transfer Matrix
Method for One Dimensional Photonic Crystals The wave behavior in one-dimensional periodic lattice can be described by using the Transfer Matrix Method (TMM) techniques. This method is largely based on interfaces of the two layers [30, 31, 32, 38]. Let us consider a periodic arrangement of a multilayer film, with refractive indices n1 and n2 and each having thicknesses d1 and d2 respectively. The solution for the master equation will be the superposition of plane waves Fig. 5: Schematic diagram of bilayers unit cell of refractive indices n1 and n2 with thicknesses d1 and d2 respectively. traveling to the right and to the left. Say, for layer with index n1, the right going and left going plane waves have amplitudes A1 and B1 respectively and the right going and left going plane waves have amplitudes C1 and D1 for layer with index n2 respectively. Hence for layer with index n1 the solution of equation (15) is,
The matrix Mi,j is called as the transfer matrix of one unit of the periodic lattice. The matrix Mi,j depends on the frequency w, and it is unimodular (it is a square matrix with determinant equal to unity). Hence, for each w, the matrix Mi,j defines a unique mapping for amplitudes of the plane waves in layer n1 into the amplitude of the next layer with index n2. For an infinite lattice extending on the whole x-axis, the solution of the Helmholtz equation (19) can be written in terms of Bloch waves [30-33, 51]. The equation
(31) is known as dispersion relation of the periodic lattice with refractive
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