Refraction and Geometry in Maxwell S Equations
Refraction and Geometry in Maxwell S Equations
To cite this article: A. J. Ward & J. B. Pendry (1996) Refraction and geometry in Maxwell's
equations, Journal of Modern Optics, 43:4, 773-793, DOI: 10.1080/09500349608232782
To link to this article: https://doi.org/10.1080/09500349608232782
1. Introduction
Light propagation in complex structures has aroused considerable interest in
the past few years. This interest was largely stimulated by Yablonovitch and
co-workers [l) 23 who suggested that diffraction by periodic structures might lead
to a ‘photonic insulator’ in which light is forbidden to propagate in a certain range
of frequencies. T h e challenge to the theorist is to solve Maxwell’s equations in
these structures:
v x E = -ppo aH/at,
v x H = +CEO a q a t ,
where both E and p may depend on position. Various methodologies have been
developed to compute the dispersion relationships for these structures: expansion
of the wavefield in plane waves [3-51 or representation of the fields on a discrete
mesh of points [6-81. T h e latter method has particular advantages as it leads to
sparse matrices and lends itself to calculations at constant frequency using transfer
matrix methods. All these methods have been kept busy in the search for photonic
insulators, and in other tasks, but they do encounter severe problems when the
refractive index varies very strongly. For example, in a system comprising both
free space and metallic components there is difficulty in representing both the
relatively long wavelength variations in the vacuum which might be on the scale
of a few thousand Angstroms, and the field inside the metal which decays on the
scale of the skin depth, perhaps only a few tens of Angstroms. A plane wave
expansion would require many Fourier components with consequently heavy
computation overheads. Alternatively a uniform sampling grid would need to be
at least as finely spaced as the most rapid spatial fluctuation and hence this is
wasteful in the regions where the wavefield varies more smoothly. I n other
instances the system may have some intrinsic symmetry which is not compatible
Figui-e 1. Simple cubic lattice of points in one co-ordinate system (left) maps into a
distorted mesh in the other co-ordinate system (right). Choosing the co-ordinate
transformation correctly we can control the distortions and produce a mesh tailored
to our requirements.
with a uniform mesh of points. For example, a fibre with cylindrical symmetry
requires a cylindrical co-ordinate system before it can be exploited in a computa-
tion. These problems have long been recognized and the solution is to use a
non-uniform mesh on which to represent the wavefields: densely sampled where
the variation is rapid, less so elsewhere. However, whereas this may seem a simple
solution to the problem, construction of such meshes can be horribly complex,
and erecting a system of difference equations upon them is a programmer’s
nightmare. Here we present a simple observation that factorizes the problem into
two parts: having solved the problem of computing on a uniform Cartesian mesh
we can use exactly the same set of programs to compute for the non-uniform mesh.
Details of the mesh structure can all be subsumed into an effective E and p. In
practice this is a huge simplification in that we can divide our programming effort
into two distinct parts: the co-ordinate system and Maxwell’s equations. How does
this come about? Let us transform to a general system defined by
Q l b ,Y , 4, Q Zb, Y , z)
9 Q3(X, Y ?z). (2)
Lines of constant q2, q3 define the generalized q1 axis, and so on. T h u s if we define a
set of points by equal increments along the q l , q2, q3 axes, the mesh will appear
distorted in the original x, y, z co-ordinate frame: see figure 1.
Maxwell’s equations as defined above are written in the original Cartesian
system. What form does the new set of equations take when expressed in terms of
q l , q2, q3? T h e answer is surprisingly simple. Maxwell’s equations in the new
system of co-ordinates become
v, x € = -po/?aH*at,
(3)
v, x H = -E0i &*at,
where i, C; are in general tensors, and E, H are renormalized electric and magnetic
fields. All four quantities are simply related to the originals. In other words the
form of Maxwell’s equations is preserved by a co-ordinate transformation and we
have attained our stated objective of dividing the computation into two parts. T h e
co-ordinate transformation does not change the fact that we are still solving
Maxwell’s equations, it simply changes the definition of E , p.
Refraction and geometry in Maxwell’s equations 77s
Not only does this transformation solve the problem of choosing an appropriate
discrete mesh on which to quantize the wavefield, it also helps methods in making
a Fourier expansion of the wavefield. Such expansions need not be confined to the
original co-ordinate system but may also be performed with respect to the new
co-ordinates. If these are chosen so that they make a more uniform sampling of
the wavefield then we can expect the Fourier expansion to be more convergent in
the new co-ordinate frame and therefore less demanding of computer time. All
this is reminiscent of a concept familiar in the calculation of electron wavefunctions:
the pseudopotential. Atomic potentials which are strongly singular near the origin
can be replaced by equivalent, or pseudo, potentials which have the same scattering
cross section, but are much more easily represented in a Fourier expansion. In the
following sections we derive the key results needed to implement these ideas in a
computation. This we do in two ways. Firstly we assume that the new mesh is
defined by an analytic co-ordinate transformation. This is much the easier
implementation because the co-ordinate transformation is defined in a compact
manner. In some circumstances analytic transformations may not be feasible and
in this case we give a more complex derivation in which we work directly with the
co-ordinates of the non-uniform mesh. Finally we give some examples of the
method at work.
where
In particular we shall need the length of a line element directed along one of the
three axes
ds; = Q i dqi, (6)
where
Q? = 9.. (7)
for shorthand.
T o calculate V x E consider a small element, small enough that it resembles a
parallelepiped (figure 2). In this we assume that the transformation has no
ElQl4
Figure 3. Integration path for finding V x E.
singularities such as points or lines where the co-ordinate system suddenly heads
off in a different direction.
First we calculate the projection of V x E onto the normal to the uI-u2 plane
by taking a line integral around the u1-u2 parallelogram and applying Stokes'
theorem (figure 3). We define
El = E - u , ,
E2 = E-IJ,,
E3 = E - U , ,
so that
or
a i 2- -
(V x E)*(ul x u2)Q1Q2= - a i l = (Vnx t)3,
841 842
Note that the right-hand side of equation (10) is simple 'component 3' of curl
evaluated in the new co-ordinate system. Now applying Maxwell,
aH
(V x E).(uI x u d Q i Q , = - P O P ~ ' ( Ux~ ~ 2 1 Q i Q 2 .
We write H in terms of the contravariant components,
H = H'u, + H2u2+ H3u3,
which in turn can be expressed in terms of the covariant components,
Define
and
so that
(V x E).(ui x ~2)QiQz
j=l
& # I d ,
at
Note that these expressions simplify considerably if the new co-ordinate system
is orthogonal, e.g. cylindrical or spherical. Therefore equations (21) and (22) show
that we can forget the co-ordinate transformation as far as computations are
concerned, provided that we employ 2,6 everywhere in place of E , p.
Figure 4. Schematic of a generalized discrete mesh. Each vertex has six bonds, four of
which join it to other mesh points within the layer, two of which join it to the layers
above and below. Note only a few of the inter-layer bonds have been shown.
Figure 5. Relative positions of the E-field and H-field meshes, chosen such that they
interlock, with H-points lying at the centre of the E-field cells.
H(r). These points are taken to lie at the centre of each E-mesh cell (see figure
5). For the H-field we must also define three vectors: Qy(r)hl(r), Qy(r)h,(r) and
Qy(r)h3(r). Notice that in most general cases, t h e vectors which join E-field
points are different from those which join H-field points.
We shall also need to define vectors reciprocal to the e’s,
e2W x e3m
el(r)= (24)
e1W0e2(r) x e3w’
etc. T h u s e;e8 = ~ 5 We ~ . do the same for ha. W e shall express the fields in
~ also
terms of the covariant components:
E(r) = El(r)el(r) + E2(r)e2(r) + E3(r)e3(r),
(25)
H(r) = Hl(r)hl(r) + H2(r)h2(r) + H3(r)h3(r).
We are now in a position to express Maxwell’s equations in the new co-ordinate
system. We start from the curl equations
V x E = --,
as
at
aD
VxH=-,
at
Refraction and geometry in Maxwell's equations 77 9
r+a+t
Figure 6. Line integral for E is taken around the surface penetrated by L--e ird
component of B.
Starting with equation (29) we take the E-field line integral around the loop in
figure 6 and note that this surface is penetrated by the H-bond along h3.
H(r)-e3(r) = g3"(r)H,(r)
780 A . J . Ward and J . B . Pendry
Now define
which gives us
E3(r)
a
+ E1(r + c) - E3(r + a) - E,(r) = --po@2a(r)fia(r), (37)
at
fi2(r - c)
* a Eo.31a(r)i!?a(r),
+ fi3(r) - fi,(r) - H(r - b) = -
at
a
- b) +
A
- H(r - a) = -eOPa(r)Ea(r),
- I?,@) at
These six equations are, of course, nothing more than the discrete form of
Maxwell's equations in the new co-ordinate system (compare with equations (21)
and (22)). In the special case where the E-field and H-field lattices are the same
then Qf = QY = Q , , e, = ha = U, and pp = gap. Then the expressions for 2 and
p revert to those in the previous section.
(44)
H,(r - b) + H2(r)- fi,(r) - H2(r - a) = -iwe0i3"(r)Ea(r).
A A A
(45)
Then we use equations (42) and (45)to eliminate the third components of the
fields and rearrange:
1
x [fil(r - b) - fi,(r) + fi2(r)- fi2(r - a)] - i~e,i?~~(r+ a)
x [g,(r + a - b) - G,(r + a) + fi2(r + a) - fi2(r)l
+
+ E2(r + b, [ -i3'(r b)
] P'(r) @l3(r)
$33(r + b) + E 1 ( r ) [ m - m]
+ b)
+ El(r +
-.t31(r
b)[ i3'(r + b)
+
-1
fi13(r)
$33(r)
+ i ~ &1, i ~ ~[fi,(r
(r)
- b) - g,(r) + fi2(r) - fi2(r - a)]
1
-
i w ~ , i ~ ~+(b)
r
[fil(r) -gl(r +b) +g2(r + b) -G2(r -a +b)]
782 A. J . Ward and J . B . Pendry
+ G2(r- a + c)
1
c -p32(r- a c)
+
fi33(r- a c)
+ - ZZ3(r+ c)
t3'(r + c) 1
-
- 1
H1(r)+i~pop33(r
+c)
[&(r +c) -El@ + b +c ) + E2(r+ a +c) -E20 +c)]
1
-
i~p~p-a~+c)
~(r
[&(r -a +c) -&(r -a +b +c) +E2(r+ c) -E2(r -a +c)]
t33(r+ c) 1
1
- *
- H2(r)+ iWp0fi33(r+c)
[,@,(r+c)-%l(r+b+c)+E2(r +a + c)-E2(r+c)]
- 1
[&(r -b +c) -&(r +c) +E2(r+a -b +c)-g2(r - b +c)]
i ~ p ~ f-
i b~+c)
~(r
+ c)B1(r + c)
t13(r
t33(r+ c) 1
t13(r + c)B2(r + c)
(49)
233(r+ c)
Refraction and geometry in Maxwell's equations 783
Finally we introduce the reduced magnetic field H' = (i/cix,,)H and the speed of
light ci = l / ~ ~ p ~ :
-t32(r + a)
+ i 2 ( r + a)[ +
t?33(r a)
+
-1
$23(r)
$33(r)
1
-- [fi;(r - b) - @(r)
E*33(r)
+ &(r) - @(r - a)]
784 A . J . Ward and J . B . Pendry
E (r + c )
@(r
$33(r+ c) p3(r+ c) 1
+ + tZ3(r+ c)
+ fi;(r -a + c) -ji3% - a c)
p33(r- a + c) t33(r c)+ 1
= A;(r)
4 [&(r +c) -&(r + b + c) +E2(r+a +c) -i 2 ( r+c)]
+ 02433(r
+c)
- 4 +
[kl(r - a c) -El(r -a + b +c) +&(r +c) -i 2 ( r-a +c)]
02ji33(r-a +c)
+ c)Z3'(r + c)
+ El(r + c) iZ2l(r + c) - P3(r233(r+ c) I
+ c ) E * ~ ~ +( ~ c)
+ E2(r+ c) i;22(r + c) - P3(rE*33(r+ c)
-p31(r - b + c)
+ &(r -b + c) li33(r- b c ) + + E*33(r+ c)
-
- Hi(r)+02p33(r
- " +c) PI(+ r c) - i,( + + +
r b c) &(r +a +c ) -E2(r+c 11
- 4 +
[&(r - b c) -il(r +c) +i2(r +a - b +c) -&(r - b + c)]
- b +c)
co2ji33(r
+ c)
P3(r+ c)P'(r
+
,f33(r c) I
+
E*I3(r c)B2(r + c) (53)
t33(r c) +
Refraction and geometry in Maxwell’s equations 785
These equations have a more complex form than the conventional transfer
equations due to the non-zero off-diagonal elements of 2 and p. I n the equations
(50) and (51) for the E-field these extra terms are on the right-hand side and cause
no problems as they only introduce extra terms within the layer rather than linking
to the next layer. In other words, equations (50) and (51) are still transfer equations
+ +
as they allow us to find E,(r C) and E,(r C) only in terms of the fields in the
previous layer.
For the H-field (equations (52) and (53)) the situation is more difficult as extra
+ +
terms are introduced on the left-hand side. H,(r C) and H,(r C) can no longer
be expressed simply in terms of the fields in the previous layer. However, we can
proceed if we recognize equations (52) and (53) as a series of 2n coupled equations,
two for each point within the layer. Then, by inverting the 2n x 2n matrix formed
from the coefficients of the terms on the left-hand side, we can find H,(r C) and+
H2(r+ C ) in terms of the fields in the previous layer.
As a useful check we can take the special case that the discretization lattice is
simple cubic. In this limit, the equations we have derived here can be seen to revert
to the original simple cubic transfer equations [7]. With the transfer equations
complete we can continue just as we would in the simple cubic case and use them to
formally define a transfer matrix which relates the fields at one layer in the photonic
system to the fields at another. From this matrix we can then find the band
structure, transmission and reflection coefficients, etc., in the usual way.
4 3 . +$k,
e3= h3 =-I
2
where i, j and k are the Cartesian unit vectors. Each unit cell contains one cylinder
and is divided up into evently spaced mesh points (see figure 7). Bloch’s theorem
is used to set the boundary conditions at the edge of the cell. At each mesh point
we set the value for E^ and p using equations (35) and (39) and substitute the relevant
lengths and the values of E and p averaged over each mesh point. T h e cylindrical
holes are air ( E = 1.0) and the host dielectric PbO glass ( E = 2.6). T h e lattice spacing
is 1.17 pm and the diameter 0.9 pm. Figure 8 shows the first Brillouin zone for a
triangular lattice and marks the symmetry points. We have calculated band
structure along the T-X direction and it is given in figures 9 and 10.
786 A . J. Ward and J . B . Pendv
Figure 7. Sketch of primitive unit cell for a triangular lattice of cylinders. The unit cell
is divided up into evenly spaced mesh points, the value of the dielectric constant
assigned to each point being the average of the mesh points.
0
r
Figure 8. First Brillouin zone for a triangular lattice. The high symmetry points are
labelled.
1.2
1.o
-.-
v)
c
c
3
I0.8
-
al
c
.-0
v)
c
E?
5 0.6
Y
E
c
JU
$ 0.4
0.2
0.0
-3.0 -2.0 -1.0 0.0 1.0 2.0 3.0
Wave Vector
Figure 9. Band structure for a triangular lattice of cylindrical holes in PbO glass;
S-polarization.
el = h, = P,
A
e, = h, = 8,
e 3 =h 3 = f .
These unit vectors are orthogonal so 1°F is a 3 x 3 unit matrix. This simplifies our
transfer equations considerably:
1.2
1.o
.-dC
h
a
3 0.8
-
C
.-0
u)
C
gE 0.6
iC?
al
3
E 0.4
IL
0.2
0.0
-3.0 -2.0 -1.0 0.0 1.0 2.0 3.0
Wave Vector
Figure 10. Band structure for a triangular lattice of cylindrical holes in PbO glass
P-polarization.
1
-
&(r + c) = &r) - -[&(r - b) - &(r) + &(r) - k 2 ( r - a)]
- w r ) - -
1
+ -,,, . . [fi;(r) - f i { ( r + b) + f i i ( r + b) - &(r -a + b)]
Figure 11. Part of the mesh for a cylindrical waveguide; a, is the distance from the centre
to the first point, a the radial spacing, b the angular spacing and c the axial spacing (not
shown).
( i i - 1 ) a + - + a.
U
2
Q f ( i r , iB, i z ) = Q y ( i r , iB, i z ) = c ,
where ir, iB and i z are the integers which label the mesh points. Finally, we need
to set the boundary conditions at the edge and centre of the guide. T h e outer surface
is terminated by a perfect metal so here we simply set all the fields to zero. T h e
centre is more difficult because the boundary conditions change depending on the
angular momentum of the mode. In all cases references to non-existent lattice
points are set to zero (i.e. points with the radial co-ordinate Y < 0). Ar Y = 0 the
radial and angular components of the fields are zero by symmetry. If the angular
momentum is non-zero then the axial component of the fields is also zero. This is
not the case if the angular momentum is zero.
790 A. J . Ward and J . B . Pendry
0.015
%
v
0
%
5 0.010
3
0-
e!
L
0.005
+ Non-orthogonal mesh
x Orthogonal mesh
0 Analytical Result
0.000
-0 I10 -0.0005 0.0000 0.0005 0.0010
Wave Vector
Putting all this together we can calculate the modes. T h e radius of the
waveguide we have considered is m. T h e first set of curves in figures 12-14
give the analytic solutions for this system for three different values of the angular
momentum, while the results from our calculations are shown in the second set of
curves.
0.015
s
v
0
%
5 0.010
a
0-
2
LL
0.005
x Orthogond mesh
0 Analytical Result
+, + + +
0.000
-0.0010 -0.0005 0.0000 0.0005 0.0010
Wave Vector
02 = h2 = 8,
8 , = h, = z^.
6. Conclusions
We have presented a formulation for expressing Maxwell's equations in a
general co-ordinate system. T h e form of the equations is preserved while all the
details of the co-ordinate transformation are absorbed into an effective 2 and $.
This enables us to extend the conventional transfer matrix method t o an arbitrary
792 A. J . Ward and J . B . Pendry
0.015
z
Y
5i; 0.010
a
F
LA
0.005
t Non-orthogonal mesh
x Orthogonal mesh
0 Analytical Result
0.000
Wave Vector
meshing scheme where the vectors joining mesh points need no longer be regularly
spaced or orthogonal. While the resulting transfer equations are more complex
than the standard ones, they can still be solved in a straightforward way on a
computer to give all the usual quantities: band structures, transmission and
reflection coefficients, etc.
I n order to test our new techniques, we have presented three simple
calculations:
(1) a triangular lattice of cylinders to test a non-orthogonal, uniform mesh,
(2) a cylindrical waveguide which uses orthogonal cylindrical polar co-
ordinates,
(3) a distorted cylindrical mesh which combines both ideas.
T h e results agree well with expectations giving confidence in the method. While
we may suspect that non-cubic mesh schemes will be more prone to numerical
difficulties than cubic ones we have yet to encounter such problems.
Refraction and geometry in Maxwell’s equations 7 93
Figure 15. Diagram showing distortion of cylindrical mesh. The angle 4 parameterizes
the degree of distortion. For 4 = 0 we revert to the undistorted mesh.
It is hoped that these techniques will widen the range of applicatons for the
Transfer Matrix Method to include non-orthogonal lattices, fibres and tapers and
maybe systems with no underlying lattice symmetry.
Acknowledgments
A.J.W. is supported by an EPSRC CASE award in collaboration with GEC-
Marconi Materials Technology Limited. Many thanks are given to John Roberts
for numerous useful discussions.
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