2.1. COM Equations for SAW Resonator
COM provides an effective approach for modeling and simulating SAW devices with different structures [
13]. The schematic diagram of the COM model for a typical resonator configuration is shown in
Figure 2.
An alternating driven voltage
V connected to the bus bar excites acoustic waves. The waves are described by
R(
x) and
S(
x), representing modes propagating in the positive and negative
x-directions, respectively. In reverse, the waves propagating under the electrodes cause a flow of the current
I.
λ0 is the electrical period, namely, the wavelength. For a uniform structure,
λ0 equals to 2
p, where
p is the structural period and
W is the acoustic aperture. By introducing the slowly varying scalar fields
R0(
x) and
S0(
x) as follows:
the COM equations of IDT assume the form:
where ∆ is the detuning parameter:
k is the complex wave number,
k =
kr − j
γ, and
k0 is the synchronous wave number. The independent parameters of the model are velocity
v, reflectivity
κ, transduction coefficient
α, static capacitance per unit length
C and propagation attenuation
γ (superscript * denotes the complex conjugate). Usually,
κ and
α are complex numbers. However, for bidirectional uniform structures, the
κ and
α are chosen real-valued. Additionally, when the R-SAW is considered,
γ is ignored as lossless propagation.
Considering the case of periodic shorted-grating, the excitation source is omitted, namely
V = 0 [
14]. The homogeneous form of the COM Equation (1) is obtained:
The general solutions of the Equation (2) are:
where
and
are undetermined coefficients, identified by the boundary conditions. Here,
D is the dispersion relation for a eigenwave in shorted-grating:
It is nondispersive for a surface acoustic wave propagating on both free and metallized surface of piezoelectric crystals. However, in periodic electrodes structures, the surface impedance becomes discontinuous as the alternation of free and metallized areas, causing the dispersive phenomenon. For the R-SAW case (Δ = (ω/
v) –
k0) the stopband appears in the frequency domain of
with serious attenuation, where
D is purely imaginary. The lower and upper edges of the stopband are found when
D is zero as follows:
Considering the case of periodic open-grating, the electrode current is zero, namely
I = 0. The COM equations derived in the similar form as Equation (2) are:
Introducing the equivalent detuning parameter ∆
oc and equivalent reflectivity
κoc:
the corresponding dispersion relation
Doc in open-grating is:
Accordingly, the lower and upper edges of the stopband in open-grating for the R-SAW are:
Thus, the four band-edge frequency Equations (3) and (4) are closely related with the COM parameters (v, κ, α and C).
2.2. FEM Simulation of Periodic Structures
Usually, the 2-D FEM with COMSOL for SAW devices is implemented on the assumption of plane strain condition, which requires the out-of-plane strain component to be zero. Thus, all the transverse wave solutions are omitted and inaccuracies occur in many piezoelectric structures. Here, we adopted the 3-D FEM model instead. The 3-D FEM models in the study were prepared in COMSOL by two steps. First, a SAW device of the periodic electrodes covering a piezoelectric substrate in the absence of mass loading was modeled. Second, a mass loading layer deposited on the SAW device in the first step was studied for the mass loading effect. The periodic structures were modeled as infinite gratings and only one period was created for simulation purposes. Attention was paid to finding the band-edge frequencies both before and after a mass loading layer deposited on the SAW devices to obtain the COM parameters, respectively.
FEM was used to provide numerical solutions defined by associated differential equations. Propagation of surface acoustic wave in the piezoelectric substrate governed by the coupled wave equations for particle displacements
ui and the potential
Φ are [
15]:
where
,
,
and
are the density, elastic stiffness tensor, piezoelectric tensor and dielectric permittivity tensor of the substrate, respectively.
First, the schematic of the periodic electrodes on a piezoelectric substrate is described in
Figure 3. The
x-direction is taken parallel to the propagation vector and
z is normal to the interface. There is no variation of the amplitudes in the
y-direction perpendicular to the sagittal plane (
x,
z), which is assumed to be infinitely uniform. The structure mentioned in
Figure 3 consists of one pair of aluminum IDT fingers at the surface of a ST-X quartz piezoelectric substrate with the wavelength
λ0 of 10 μm. The depth of the substrate is limited to 4
λ0 and the acoustic aperture
W is set to 0.5
λ0 to reduce the size of the problem. The metallization ratio (2
a/
λ0) is 0.5 and the relative thickness of the Al-electrode (
h/
λ0) is set to 1.6%, where
a and
h are the electrode width and height, respectively. As reported by Hofer
et al., the charge on the electrode-air interfaces on a quartz substrate (a material with low dielectric constant) has to be taken into account [
16], so an air layer with the dielectric constant of 8.854 × 10
−12 F/m in 0.5
λ0 height was added on the substrate surface of the structure. The material constants of quartz and Al are listed in
Table 1 in abbreviated subscript notation [
17]. The detailed mechanical and electrical boundary conditions of the modal are listed in
Table 2, where the periodic continuity boundary condition stands for all the variables satisfying the Bloch periodic theorem with phase set to zero.
The developed model was meshed with the element shape of cube throughout. Since the SAW displacements are largest near the substrate surface, the domain was discretized to higher density near the surface than near the bottom. Besides, the electrodes were meshed to high degree of density. The maximum element size is 1 μm and the complete mesh consists of 2496 domain elements, shown in
Figure 4.
The modal analysis was adopted to extract the vibration modes at two eigenfrequencies (
fsc− and
fsc+), which contribute the edges of the stopband in a periodic shorted-grating [
10]. The electrical condition of IDT is set to ground. Actually, the potential is automatically set to zero at the electrodes regardless of the applied values for linear eigenfrequency problems in COMSOL.
Figure 5 shows the displacement profiles of the periodic structure.
At the resonant frequency
fsc−, a zero displacement component in the
x-direction was observed at both ends. At the anti-resonant frequency
fsc+, the mode has a zero displacement component in the
z-direction at both ends. Figuring out the two eigenfrequencies, the COM parameters velocity
v and the amplitude of normalized reflectivity
κλ0 can be extracted by Equation (3), namely:
The harmonic frequency response was adopted to extract the harmonic admittance
Y(
β,
ω), where
β is the wavenumber and
ω is the operating frequency. The harmonic admittance
Y(
β,
ω) for fixed
β = 2π/
λ0 corresponds to two times the input admittance
Yin(
ω) per period for infinite IDT with the period
λ0 [
18]. Searching the poles and zeros of the input admittance
Yin = j
ωQ/∆
V, the edges of stopband in periodic shorted-grating and open-grating can be obtained, respectively. Applying alternating voltage drop ∆
V = 1 V to IDT patterned on the piezoelectric substrate generates the surface acoustic waves. The logarithmic magnitude of the normalized input admittance
Yin/
W is shown in
Figure 6. In this bidirectional structure, only one pair of maximum and minimum values appears, namely another pair of extrema is cancelled out by lack of directivity. The cancelled extrema can be found by adding a tiny directivity to the substrate [
18].
Figure 7 gives the input admittance of ST-2°X quartz piezoelectric substrate. Here, the two resonance frequencies present the edges of stopband
fsc− and
fsc+ in the shorted-grating, which can be demonstrated by the modal analysis described before. The two anti-resonance frequencies present the edges of stopband
foc− and
foc+ in the open-grating. The area enclosed by a red dashed box is the counteracted extrema in
Figure 6. The calculated results are consistent with the conclusions in [
18].
Based on the Equations (3) and (4), the amplitude of normalized transduction coefficient
and the cosine angle between the square of
α and
κ can be extracted, namely:
Besides, the upper edge of the shorted-grating equals the upper edge in the open-grating as shown in
Figure 6, namely
fsc+ =
foc+. Thus, −
κ = |
κ|, namely
κ is negative. From Equation (6), the positive or negative sign of
α can be determined.
The stationary analysis was adopted to extract the static capacitance. The electrostatic field energy
We equals to the energy required for the charge
Q of a capacitor, namely:
Besides:
where ∆
V is the voltage drop. Thus, the normalized static capacitance
is:
In conclusion, all the COM parameters in R-SAW periodic structure shown in
Figure 3 were extracted by the FEM.
Additionally, when a mass loading layer is deposited onto the SAW device surface in the first step, the corresponding model of this periodic structure is presented in
Figure 8.
Here, the mass loading layer is assumed to be isotropic SiO
2 with a height of 0.3 μm, the corresponding material constants are a mass density of 2200 kg/m
3, Poisson's ratio of 0.17 and the dielectric constant is 36.7 × 10
−12 F/m [
19]. In the same way as the first step, all the COM parameters in a layered R-SAW periodic structure can be obtained easily. The edges of stopband
f′sc− and
f′sc+ in a layered shorted-grating can be derived from the displacement profiles by the modal analysis, as shown in
Figure 9. The edges of stopband
f′oc− and
f′oc+ in a layered open-grating can be extracted from the normalized input admittance by the harmonic frequency response, which is shown in
Figure 10. Finally, using the stationary analysis, the normalized static capacitance can be obtained.
Thus, the layered periodic structure shown in
Figure 8 can be simulated easily by using COMSOL. All the COM parameters in the mass loaded periodic structure were extracted in the same way as the first step without complicated operations. The extracted COM parameters are listed in
Table 3. Based on the COM parameters in the absence and presence of a mass loading layer covering the electrode structures, the frequency responses of the R-SAW resonators without and with mass loading are studied in the following section.
2.3. Frequency Responses of R-SAW Resonators
To cascade the uniform transducer elements, solutions of the COM equations can be derived in the
P-matrix [
13].
Figure 11 shows the schematic diagram of the
P-matrix in the IDT element. In the
P-matrix, the two acoustic ports’ relationship is described by the scattering matrix and the electrical port relationship is described by the admittance matrix as follows:
where:
L is the device length and
N is the pair number of electrodes, namely
L =
Nλ0. Re is the real part of the extraction operator. Substituting the COM parameters (
v,
κ,
α and
C) extracted by FEM into Equation (8), the values of
P-matrix elements are given. More detailed derivation of the
P-matrix was presented in reference [
13].
Omitting the source item in Equation (8), that is only the scattering matrix of the two acoustic ports relationship is considered, the
P-matrixes of the gratings and gaps are obtained. When the mass loaded IDT′ is considered as shown in
Figure 12, the
P-matrix in IDT′ is determined by using the COM parameters from the layered structure in step 2. The cascading relationships of different elements are the acoustic ports cascaded and the electrical ports in parallel, which complete the analysis of the SAW resonator with mass loaded on different sensitive areas.
Utilizing the
P-matrix model, the frequency response S
21 of a two-port R-SAW resonator structure was calculated. When the mass covers different sensitive areas from A to F, shown in
Figure 13, the corresponding center frequency perturbations are determined by finding the maximum amplitude of S
21. As the resonator structure is symmetrical, only half of the surface was chosen for the analysis. The rectangular frames of different size are just schematic. Deposited areas are all the same in practice, namely 20
λ0 in the
x-direction, 150
λ0 in the
y-direction and 3000 Å high.
Figure 14 shows the frequency responses S
21 around the center frequency (311.6 MHz) for non-loaded device and different sensitive areas with mass loaded shown in various colour and line styles. The electrode number of IDT
1, IDT
2 and IDT
3 are 90, 45 and 45, respectively. The center frequencies are reduced for the mass loading effect.
Using the mass sensitivity
Sm equation defined by [
9] as:
where
fm is the perturbed center frequency,
f0 is the unperturbed center frequency and
m is the total mass of the perturbing material. The method proposed in the paper can be implemented to calculate the mass sensitivity changes in different sensitive areas of an R-SAW resonator for sensor applications.