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4, APRIL 2017
Abstract— Closed form expressions of the Kramers–Kronig First of all, metamaterials can have far-reaching near fields.
and of the multiply subtractive Kramers–Kronig relations are Therefore, it is not straightforward how to select the effective
derived to predict the real part of the refractive index from thickness deff of the homogeneous slab. In [16], deff is selected
the imaginary part, which is given in discrete frequency points.
The accuracy and the convergence rate of the closed form as the minimum distance at which the wave impedance
expressions are investigated by calculating the refractive index becomes independent of deff . This procedure can result in
of a hypothetical double negative metamaterial with predefined impractically large effective thickness. Often deff is considered
parameters. Then, a two-step procedure is presented, which equal to the physical thickness of the metamaterial. Therefore,
utilizes the subtractive Kramers–Kronig relation to uniquely to obtain valid S-parameters, it is common to place the excita-
retrieve the effective refractive index of metamaterials even when
the Kramers–Kronig relation fails. The developed procedure is tion ports of the full wave solvers outside the near-field zone of
demonstrated by extracting the effective parameters of multilayer the metamaterial. Then, the ports are deembedded. This means
fishnet metamaterials. that the phase of the S-parameters is shifted with the distance
Index Terms— Effective material parameters, Kramers–Kronig between the port and the virtual position of the homogeneous
relations, metamaterials. slab. Consequently, the electromagnetic fields produced by the
homogenized slab differ from the fields of the metamaterial
I. I NTRODUCTION not only inside the metamaterial, but in its surrounding as
well. Second, the extracted electromagnetic parameters are
D URING the last decade, a novel interdisciplinary scien-
tific area, the research of metamaterials emerged [1]–[4].
Nowadays, the research of metamaterials advanced to a level,
often nonlocal. They can change significantly as a function
of the number of layers and angle of incidence. When many
layers of unit cells are present, the electromagnetic parameters
where commercial applications are underway.
should converge to a bulk value. However, it is common that
The fundamental idea behind the metamaterial research is
the metamaterial is no longer opaque or the homogenization
that the subwavelength structuring can produce novel proper-
limits are exceeded before convergence occurs. Therefore,
ties. Then, the key question is how to choose the geometry
special care must be taken when the extracted parameters
of metamaterials to engineer the required electromagnetic
are utilized. The NRW model can replace the metamaterial
response, which is the distribution of the effective wave
only in special cases, when there are no other elements
impedance and refractive index. However, the calculation of
(e.g., antennas and polarizers) in its close environment, and
the effective parameters is challenging, because the frequen-
the secondary reflections can be disregarded as in [22]. More
cies where the metamaterial operates can be close to the limit
often, the coupling effects cannot be neglected. In spite of
of homogenization. To facilitate metamaterial design, several
these limitations, even the nonlocal metamaterial parameters
homogenization strategies have been proposed. Field aver-
can be useful. They can provide good starting values for full
aging methods, such as extended Maxwell-Garnett theories,
wave electromagnetic optimizations, which include the fine
are commonly applied [5]–[12]. Numerical averaging over the
details of the metamaterial as in [23]. Current developments
unit cells of the metamaterial is utilized as well [13], [14].
of metamaterial homogenization are usually driven to correct
The most common methods, however, are the extensions of
these limitations, especially the nonlocality of the extracted
the Nicolson–Ross–Weir (NRW) model [15], which replaces
metamaterial parameters [9], [12], [24]–[26]. Nevertheless,
the far-field electromagnetic response (S-parameters) of meta-
even these methods require NRW type models to approximate
material slabs with the electromagnetic response of a homo-
the wavenumber required by the first-principles homogeniza-
geneous slab [16]–[20]. The validity of this method has been
tion theory.
confirmed experimentally and it was shown that the extracted
The main difficulty of the NRW models is the calculation
parameters do not violate any physical constraint [21]. How-
of the refractive index, which involves the evaluation of a
ever, the method has limitations, which should be recognized.
complex logarithm. The resulting uncertainty is referred to
Manuscript received June 2, 2016; revised August 19, 2016 and as branching problem and affects only the real part of the
November 17, 2016; accepted November 21, 2016. Date of publication refractive index. Several methods have been proposed to solve
January 9, 2017; date of current version April 3, 2017.
The author is with the Department of Broadband Infocommunications and this ambiguity, as summarized in [20]. The S-parameters of
Electromagnetic Theory, Budapest University of Technology and Economics, two different thicknesses of the same metamaterial may allow
1111 Budapest, Hungary (e-mail: szabo@evt.bme.hu). to obtain the branch index [27]. This procedure assumes that
Color versions of one or more of the figures in this paper are available
online at http://ieeexplore.ieee.org. the real part of the wave number is independent of thickness.
Digital Object Identifier 10.1109/TMTT.2016.2633345 However, the refractive index and, consequently, the wavenum-
0018-9480 © 2017 IEEE. Personal use is permitted, but republication/redistribution requires IEEE permission.
See http://www.ieee.org/publications_standards/publications/rights/index.html for more information.
SZABÓ: CLOSED FORM KRAMERS–KRONIG RELATIONS TO EXTRACT THE REFRACTIVE INDEX 1151
ber can change even when the thickness of the metamaterial is positive, κ > 0. The limits of the integral are 0 and ∞, and
is increased with only one unit cell. As another possibility, therefore, the imaginary part of the refractive index should be
from linear system theory is known that the real part of known for the entire frequency range.
the frequency response at the output of a causal system In case of natural dielectric materials, at very high frequen-
can be derived from its imaginary part [28]. Therefore, the cies, the real part of the refractive index approaches unity
Kramers–Kronig relations can be applied to remove this from below, while the imaginary part tends to zero as the
ambiguity [29], [30]. inverse third power of the frequency [33]. At frequencies
It is the requirement of our version of metamaterial para- higher than far ultraviolet, diffraction occurs (e.g., X-rays).
meter extraction [30] to enforce the Kramers–Kronig relation The refractive index loses its meaning and the Laue theory
for the refractive index. The physically valid refractive index describes the interaction of the electromagnetic waves with
is determined by selecting those branches of the logarith- the crystal lattice. At such frequencies, the material cannot be
mic function, which are closest to those predicted by the regarded as a continuum, because the details of the crystal
Kramers–Kronig relation. The procedure also enforces the structure are comparable or larger than the wavelength and
continuity of the real part of the refractive index that is of the conditions of homogenization are exceeded. From frequen-
the wavenumber as function of frequency. Discontinuity in the cies that are higher than the highest far-ultraviolet frequency
extracted real part of the refractive index may indicate that for which measurements can be made, the Kramers–Kronig
the limit of homogenization is reached. The extracted wave relations require a suitable continuation of the involved
impedance and all other electromagnetic parameters must quantities to infinite frequency. This extrapolation allows to
satisfy the Kramers–Kronig relations as well. This procedure extend the frequency response to build a causal time-domain
highly relies on the accuracy by which the Kramers–Kronig model. The same considerations can be made when the
integral is evaluated. Accurate calculations require the Kramers–Kronig relation is applied for metamaterials. How-
S-parameters over a considerably larger frequency region than ever, depending on the geometry, the limits of the homogeniza-
the frequencies where the effective metamaterial parameters tion can scale even to microwaves and there is no constraint
are extracted. This is inconvenient when measurements are that the real part of the refractive index should approach
performed and also when the S-parameters are numerically unity.
calculated. Consequently, it is essential to limit the frequency Usually, the integral in (1) is truncated, and therefore, the
range of the calculations and at the same time, to provide Kramers–Kronig relation can provide only an approximation
an accurate estimate for the refractive index. Therefore, in of the refractive index, which is denoted by n K K (ω). The
this paper, we propose to utilize subtractive Kramers–Kronig imaginary part of the refractive index is usually given as a set
relations [31], [32] to uniquely extract the real part of the of discrete data points on the interval [ωa , ωb ] and often the
refractive index. spacing is equidistant with the frequency step ω. To avoid
This paper is organized as follows. In Sections II and III, the singularity of the Kramers–Kronig integral, two meshes,
closed form expressions of the Kramers–Kronig and of the the primary mesh and the secondary mesh, are introduced.
subtractive Kramers–Kronig relations are derived. The con- The primary mesh is associated with the imaginary part of
vergence rate of the expressions is shown by calculating the the refractive index, while the corresponding frequencies are
refractive index of a hypothetical metamaterial with predefined distinguished by a prime symbol and the following notation
parameters. In Section IV, a two-step procedure to extract is applied κ(ωl ) = κl . The secondary mesh is associated
the refractive index of metamaterials is introduced. Then, with the real part of the refractive index. The frequencies of
the multilayer fishnet metamaterial serves as an example to the primary mesh and of the secondary mesh are related as
present two scenarios that can be often encountered during the ωl = (ωl + ωl+1 )/2 = ω + ω/2 and the Kramers–Kronig
l
homogenization of metamaterials, when the Kramers–Kronig relation (1) can be expressed as
relation fails, however, the subtractive Kramers–Kronig rela-
L−1 ω
tion can accurately predict the correct branch of the refractive 2 l+1 ω κ(ω )
II. C LOSED F ORM E XPRESSIONS OF THE where L is the number of frequency points, where the imagi-
K RAMERS –K RONIG I NTEGRAL nary part of the refractive index is known and n h is a constant,
The real part of the refractive index n can be expressed as which is the cumulative effect of the continuation and can
a function of the imaginary part κ with the Kramers–Kronig compensate for the truncation of the integral. In the following,
relation [32], [33] as closed form expressions of the Kramers–Kronig expression are
∞ deduced by approximating the imaginary part of the refractive
2 ω κ(ω )
n(ω) = 1 + P dω (1) index between each ωl , ωl+1
frequency points.
π 0 ω 2 − ω2
where ω is the angular frequency and P denotes the principal
A. Zero-Order Approximation
value of the improper integral. Note that in this paper, the
time-harmonic convention exp(−i ωt) is used. Consequently, In case of the zero-order approximation, the imaginary part
the complex refractive index is written as N = n + i κ, and of the refractive index is considered constant κ(ω ) = κl
for passive media, the imaginary part of the refractive index over the frequency interval [ωl , ωl+1
], therefore (2) can be
1152 IEEE TRANSACTIONS ON MICROWAVE THEORY AND TECHNIQUES, VOL. 65, NO. 4, APRIL 2017
written as while the second integral has similar form as (4). Substituting
L −1
the closed form expressions of the integrals in (9) the following
2 ωl+1 ω
n K K (ω) = n h + κl dω . (3) formula can be deduced
π ωl
2
ω − ω2 L−1
l=0 2 κl+1 − κl
The integral, which appears in this expression, can be evalu- n (ω) = n h +
KK
ω+
π ω
l=0
ated and it has the following closed form
ω ω + ω ω − ω
κl ωl+1 − κl+1 ωl
x 1 l l+1
d x = log |x 2 − a 2 |, (4) log + ×
x 2 − a2 2 2 ω − ωl ω + ωl+1 2ω
2ωl ω + ω2
where log() denotes the natural logarithm and the bars are the
log 1 + . (11)
absolute value. Substituting (4) in (3) and after some algebraic ωl 2 − ω2
manipulations, the following expression is obtained
Note that (11) can be converted into (7) by setting κl+1 = κl .
1
L−1 ω 2 − ω2
KK l+1 The presented formulation can be conveniently implemented
n (ω) = n h + κl log 2 . (5) by precomputing the coefficients, which do not depend on ω
π ωl − ω2
l=0
κl+1 − κl ml
This relation is valid even for nonuniformly spaced data points. c1,l = = ,
πω π
For uniformly spaced frequencies, with the step size ω, the
κl ωl+1 − κl+1 ωl bl
fraction can be expressed as c2,l = = ,
2 πω π
2
ωl+1 − ω2 ωl + ω − ω2 2ω ω + ω2 c3,l = 2ωl ω + ω2 ,
2 = 2 = 1 + l 2 , (6)
ωl − ω2 ωl − ω2 ωl − ω2 c4,l = 2ωc1,l , (12)
and the refractive index can be calculated as leading to the following iterative scheme
L
−1 ω + ω2 L
−1
1 2ω
n K K (ω) = n h + κl log 1 + l 2 . (7) n (ω) = n h +
KK
c4,l + c1,l ω×
π ωl − ω 2
l=0 l=0
This expression can be conveniently implemented and it results ω + ω ω − ω
l l+1 c 3,l
in a faster computer algorithm than (5), because the nominator log + c 2,l log 1+ . (13)
ω − ωl ω + ωl+1
ωl −ω
2 2
of the fraction does not depend on ω, therefore it can be
precomputed. The developed algorithm considers the real part When the real part of the refractive index is required on the
of the refractive index constant on the interval [ωl , ωl+1 ] primary mesh, linear interpolation can be applied, except for
and the computed values nl can be directly assigned to the the first and last frequency points. For these points, extrapola-
frequencies point ωl of the primary mesh if necessary. tion may be applied; however, the developed algorithm directly
assigns the refractive index of the first and last frequency
B. First-Order Approximation points of the secondary mesh to the primary mesh.
In the following, the convergence of the zero-order and first-
In case of the first-order approximation, the imaginary part order closed form approximations is analyzed as a function of
of the refractive index is considered to be a linear function the step size and as a function of the available bandwidth,
over the frequency interval [ωl , ωl+1 ] which is the truncation frequency range, for a hypothetical
κ(ω ) = m l ω + bl , double negative metamaterial. In the frequency region of
κl+1 − κl operation, the relative electric permittivity of several meta-
ml = ,
ωl+1 − ωl materials can be expressed with the Drude model, which is
often followed by the first resonance of Lorentzian shape as
κl ωl+1 − κl+1 ωl
bl = , (8) ωp2 (s − h )ωe0
2
ωl+1 − ωl r (ω) = h − + , (14)
ω 2 + i γe ω ωe0
2 − i ωδ − ω2
e
where m l is the slope of the line, bl is the y-intercept,
κl = κ(ωl ), and κl+1 = κ(ωl+1 ). Substituting (8) in (2), the where h is the electric permittivity at high frequencies,
real part of the refractive index can be expressed as ωp is the Drude plasma frequency, γe is the collision frequency,
s is the static electric permittivity, ωe0 is the electric resonant
L−1
2 ωl+1 ω2 frequency, and δe is the electric damping factor. The relative
n (ω) = n h +
KK
ml 2 dω
π ω ω − ω 2 magnetic permeability of the metamaterial has Lorentzian
l=0 l
ω
form described by the formula
l+1 ω
+ bl dω . (9) (μs − μh )ωm0
2
ωl ω 2 − ω2 μr (ω) = μh + , (15)
ωm0
2 − i ωδ − ω2
m
The first integral of this expression can be calculated as
where μs is the static magnetic permeability, μh is the
x 2d x a + x magnetic permeability at high frequencies, ωm0 is the mag-
−1 x a , (10)
= x − a tanh = x − log
x 2 − a2 a 2 a−x netic resonant frequency, and δm is the magnetic damping
SZABÓ: CLOSED FORM KRAMERS–KRONIG RELATIONS TO EXTRACT THE REFRACTIVE INDEX 1153
expressed as written as
∞
n K K (ω) ω κ(ω )dω
2
(ω − ω2 ) ω 2 − ω12 . . . ω 2 − ω2p
L−1
1 ω 2 − ω2 0
l+1 L −1
= κl log 2 ωl+1 ω 2 dω
π ωl − ω2 = ml
l=0
⎡ ⎤ l=0 ωl (ω 2 − ω2 ) ω 2 − ω12 . . . ω 2 − ω2p
L
−1 ω 2 − ω2 ω
1 ⎦ ω dω
+ β1 (ω) ⎣n(ω1 ) − κl log l+1 1
+ bl
l+1
.
π ωl 2 − ω12
l=0 ωl (ω 2 − ω2 ) ω 2 − ω12 . . . ω 2 − ω2p
⎡ ⎤
L
−1 ω 2 − ω2 (25)
1 2 ⎦
+ β2 (ω) ⎣n(ω2 ) − κl log l+1 + ···
π ωl 2 − ω22 The first integral can be evaluated as
l=0
⎡ ⎤
L −1 ω 2 − ω2 x 2d x
1 l+1 p ⎦
+ β p (ω) ⎣n(ω p ) − κl log 2 . (21) x 2 − a12 x 2 − a22 . . . x 2 − a 2p
π ωl − ω2p
l=0 p
ai −1
= 2 2
The computational load of (21) can be significantly reduced 2 ai2 − a12 . . . ai2 − ai−1
2 ai − ai+1
2 . . . ai − a 2p
i=1
with barycentric formulation [34] and by precomputing the
coefficients, which do not depend on ω. For uniformly spaced ai + x
× log , (26)
frequency points of the primary mesh, the first sum can be ai − x
transformed in a similar manner as in (13). By defining the
weights and introducing the coefficients while the second integral is similar to (20). Substituting the
antiderivatives (20) and (26) in (25), taking the limits of
p
2 −1 integration and after some algebra, the following closed form
wi = ωi − ωk2 , (22) expression can be obtained
k=1
k =i
n K K (ω)
⎡
2ωl ω + ω2 ω + ω ω − ω
L
−1
L−1
gi = n(ωi ) −
1
κl log 1 + , (23) 1⎣ l l+1
π
ωl 2 − ωi2 = ω m l log
l=0 π ω − ωl ω + ωl+1
l=0
⎤
where ωi is the i th anchor point on the secondary mesh and L −1 ω 2 − ω2
⎦
i = 1 . . . p, and the following closed form expression can be + bl log l+1 + β1 (ω)
obtained ωl 2 − ω2
l=0
p ⎧ ⎡
ω1 + ω ω1 − ω
wi
L−1
1 c3,l i=0 ω2 −ω2 gi ⎨ 1⎣
L−1
l+1 l
n (ω) =
KK
κl log 1+ 2 + p wi
i
. × n(ω1 ) + ω1 m l log
π ωl − ω2 ⎩ π ω1 − ωl+1 ω1 + ω
l=0 i=0 2 2 ω −ωi l=0 l
(24) ⎤ ⎫
L
−1 ω 2 − ω2 ⎬
1 ⎦
− bl log l+1
The singularity of this expression at anchor points can ωl 2 − ω12 ⎭
l=0
be easily avoided by setting n K K (ωi ) = n(ωi ) when
+ · · · + β p (ω)
|ω − ωi | < , where is a small predefined positive number. ⎧ ⎡
The advantage of this representation is that the computation ⎨ L
−1 ω p + ω ω p − ω
1
of (24) requires O(n) operations only, and the need of log() × n(ω p ) + ⎣ω p m l log l+1
l
⎩ π ω p − ωl+1 ω p + ωl
function evaluations is minimized. Comparing the deduced l=0
⎤⎫
closed form expression of the Kramers–Kronig integral (7) L−1 ω 2 − ω2 ⎬
l+1 p ⎦
with the closed form expression of the subtractive Kramers– − bl log 2 . (27)
ωl − ω2p ⎭
Kronig relation (24), it can be observed that instead of n h l=0
stands the second term with barycentric sum. However, this
This expression can be converted into the zero-order approx-
term depends on ω and it is not simply an approximation of n h ,
imation (21) by setting κl+1 = κl ; consequently, when the
but increases the convergence rate of the deduced subtractive
slope of the line is m l = 0 and the y-intercept is bl = κl .
Kramers–Kronig relation.
Identifying the corresponding terms of the zero order and
first-order approximations, it can be observed that the
B. First-Order Approximation of the Subtractive higher computational load of the first-order approximation is
Kramers–Kronig Relation primarily the consequence of the additional log() function
The imaginary part of the refractive index κ(ω ) is con- evaluations. However, the computational load of (27) can be
sidered a linear function
in form of (8) over the frequency significantly reduced with the barycentric formulation and by
interval ωl , ωl+1
. Therefore, the integral of (18) can be precomputing the coefficients, which do not depend on ω.
SZABÓ: CLOSED FORM KRAMERS–KRONIG RELATIONS TO EXTRACT THE REFRACTIVE INDEX 1155
Fig. 5. (a) Extraction of the real part of the refractive index from the Fig. 6. (a) Effective refractive index (solid line) of the 12-layer thick
S-parameters of the frequency domain simulation. The imaginary part of fishnet metamaterial extracted with the subtractive Kramers–Kronig rela-
the refractive index is marked with diamonds. The curve marked with dots tion. For reference, the imaginary part of the refractive index (marked
is the refractive index calculated with the Kramers–Kronig relation. The with diamonds), the refractive index calculated with the subtractive
dashed curves are possible branches of the logarithmic function. The real Kramers–Kronig relation (dots), and several possible branches of the loga-
part of the refractive index is plotted with solid line and it has a discontinuity rithmic function (dashed curves) are plotted as well. The two cross markers
in the circled frequency region. (b) Branch number. In the region marked with indicate the position of the anchor points. (b) Branch number, which is correct
gray the branch number is incorrect. over the entire frequency range.
is λg = c0 /(n eff f ) = 27.73 mm, which is much larger than frequencies, where the metamaterial is thin compared with
the effective thickness of the metamaterial λg /deff ≈ 3. This the wavelength, which is reflected in large separation between
is an indication that the discontinuity is a numerical error due the branches. The branch number, which is correct over the
to the truncation of the Kramers–Kronig integral and can be entire frequency range, is plotted in Fig. 6(b). The refractive
removed by increasing the frequency range of the simulation. index has no discontinuities and corresponds to that one, which
The branch number m is shown in Fig. 5(b) and the region can obtain with the increase of the frequency range of the
marked with gray represents the frequencies, where the branch simulation.
number is incorrect. In the following, consider the same fishnet metamaterial, but
The Kramers–Kronig integral has slow convergence the S-parameters are calculated with the time-domain solver
rate [32]. Therefore, it is inconvenient to increase the fre- of CST Microwave Studio. The simulation domain is closed
quency range of the simulation, because for accurate calcu- with PEC boundary condition in the x-direction, PMC in the
lations, a new finer mesh is required. Resonances at higher y-direction, and waveguide ports in the z-direction, which are
frequencies may be covered, which can also increase the excited with the fundamental mode to mimic a plane wave
simulation time. Instead, the subtractive Kramers–Kronig rela- propagating perpendicular to the surface of the fishnet and
tion (29), which has a higher convergence rate [32], can be polarized in the x-direction. The ports are deembedded to
employed to obtain a better approximation of the refractive the surface of the metamaterial. The simulation domain can
index [see Fig. 6(a) (curve marked with dots)]. As it can be be further reduced to one quarter with symmetry conditions
observed, there is a very good overlap of the refractive index (PEC in x-direction and PMC in y-direction). The computa-
obtained with the subtractive Kramers–Kronig relation and tional space is divided in rectangular cells and the simulation
those branches that contribute to the real part of the refractive is stopped, when the total energy drops below −60 dB. These
index. The two anchor points are selected at frequencies boundary conditions and, therefore, the simulation setup are
f 1 = 6 GHz and f 2 = 13 GHz and the corresponding values valid only at frequencies below the diffraction limit. Compar-
of the refractive index are n 1 = 0.0012 and n 2 = 0.5254. ing the S-parameters of this simulation with the S-parameters
The two cross markers of Fig. 6(a) indicate the position of the of the frequency domain simulation with unit cell boundary
anchor points. Note that the refractive indices at the anchor conditions can provide information of the diffraction limit,
points are the exact values from (31), calculated in the previous therefore can assist to set upper limit for the homogenization
step of the extraction procedure, where the branch m is of metamaterials. The effective refractive index extracted from
selected with the Kramers–Kronig relation (13). The position the S-parameters of the time-domain simulation is shown
of the anchor points is not crucial, and they are selected at in Fig. 7. The results are similar to those obtained from
frequencies, where the separation of the branches is significant, the frequency domain simulation except the circled frequency
as another possibility can be to position one anchor point just region of 15–16 GHz, where the refractive index has two
before the discontinuity. In [31], it is proposed to distribute the discontinuities. This frequency region is magnified in Fig. 7(b),
anchor points according to a Chebychev polynomial, however, which reveals that it is not possible to connect the predicted
in our case, it is appropriate to select the anchor points at branches at the ends of this interval (15 and 16 GHz) in such
1158 IEEE TRANSACTIONS ON MICROWAVE THEORY AND TECHNIQUES, VOL. 65, NO. 4, APRIL 2017
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