Appendices

Appendix A
Piezoelectric Constitutive Equations

A.1 Constitutive Equations for Bulk Monolithic Piezoelectric Material

The constitutive equations for linear piezoelectric material are well documented in
the IEEE Standard on Piezoelectricity. Both the direct and converse piezoelectric effects
can be expressed mathematically as a relationship between four field variables including
stress, S, strain, T, electric field, E, and electric displacement, D. Four forms of the
constitutive equations can be written by considering any two field variables as
independent variables. The most common representation of the constitutive relations can
be expressed in tensor (or indicial) notation as .

𝑺𝒊𝒋 = 𝑺𝑬𝒊𝒋𝒌𝒍 𝑻𝒌𝒍 + 𝒅𝒌𝒊𝒋 𝑬𝒌 A.1

𝑫𝒊 = 𝒅𝒊𝒌𝒍 𝑻𝒌𝒍 + 𝜺𝑻𝒊𝒌 𝑬𝒌 A.2

Where 𝑺𝒊𝒋 is the mechanical strain, 𝑫𝒊 is the electric displacement, 𝑻𝒌𝒍 is the
mechanical stress, 𝑬𝒌 is the electric field, 𝑺𝑬𝒊𝒋𝒌𝒍 is the mechanical compliance (reciprocal
of the elastic modulus) measured at constant electric field, 𝒅𝒊𝒌𝒍 is the piezoelectric strain
coefficient, and 𝜺𝑻𝒊𝒌 is the dielectric permittivity measured at zero mechanical stress.
Based on the symmetry of tensors, the constitutive equations can be written in compact
matrix form as
𝑺 𝑬 𝒅′ 𝑻
{ } = [𝑺 𝑻 ] { } A.3
𝑫 𝒅 𝜺 𝑬
Where a superscript denotes transpose. Here the following notation (known as
Voigt notation) is adopted.
𝑆1 = 𝑆11 𝑇1 = 𝑇11 A.4

𝑆2 = 𝑆22 𝑇2 = 𝑇22 A.5

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𝑆3 = 𝑆33 𝑇3 = 𝑇33 A.6

𝑆4 = 𝑆23 + 𝑆32 𝑇4 = 𝑇23 + 𝑇32 A.7

𝑆5 = 𝑆13 + 𝑆31 𝑇5 = 𝑇13 + 𝑇31 A.8

𝑆6 = 𝑆12 + 𝑆21 𝑇6 = 𝑇12 + 𝑇21 A.9

The fully populated constitutive matrices can be further reduced for orthotropic materials
(most piezoelectric materials are orthotropic) as follows

1 ν ν
− Y12 13
E − E
S1 YE
1
Y 1 1 0 0 0 T1 0 0 𝑑13 E1
ν12 1 ν23 0
S2 − − YE 0 0 T2 0 0 𝑑23 E2
YE YE
S3 1 2 1
0 0 0 T3 0 0 𝑑33 E3
ν31 V32 1
= − − 1
0 0 + A.10
S4 YE3 YE
3 YE
3 GE
T4 0 𝑑24 0 E4
23 1 0
S5 0 0 0 0 GE 1
T5 𝑑15 0 0 E5
13
{S6 } 0 0 0 0 0 GE {T6 } [ 0 0 0 ] {E6 }
12
[ 0 0 0 ]

T1
T2
D1 0 0 0 0 d15 0 T 0 0
ε11 E1
T3 T
{D2 } = [ 0 0 0 d24 0 0 ] + [ 0 ε22 0 ] {E2 } A.11
T4 T
D3 d13 d23 d33 0 0 0 0 0 ε33 E3
T5
{T6 }
Where Y is the elastic modulus, 𝛎 is Poisson’s ratio, G is the shear modulus, and
the components of the elastic compliance matrix, 𝑺𝑬𝒊𝒋𝒌𝒍 , have been expressed in terms of
these quantities.
A.2 Alternative Representations of the Constitutive Equations

As noted above, four unique forms of the constitutive equations can be written
based on the choice of independent variables. In addition to Eq. (A.3), the three
alternative forms are given as

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𝑇 𝐸 −𝑒 𝑆
{ } = [𝐶 ′ 𝑆 ] { } 𝑒 = 𝐶 𝐸 𝑑, 𝜀 𝑆 = 𝜀 𝑡 − 𝑑 ′ 𝐶 𝐸 𝑑 A.11
𝐷 𝑒 𝜀 𝐸
𝐷 𝑔
𝑆 𝑆 𝑇
{ } = [ ′ 𝑇] { } 𝑔 = 𝑑𝛽 𝑇 , 𝑆 𝐷 = 𝑆 𝐸 − 𝑑𝛽 𝑇 𝑑 ′ A.12
𝐸 −𝑔 𝛽 𝐷
𝑇 𝐷 −ℎ 𝑆
{ } = [𝐶 ′ 𝑆]{ } ℎ = 𝐶 𝐷 𝑔, 𝛽 𝑆 = 𝛽 𝑇 + 𝑔′ 𝐶 𝐷 𝑔 A.13
𝐸 −ℎ 𝛽 𝐷

The transformations listed in Eq. (A.11), Eq. (A.12), and Eq. (A.13)can be used to
help move between each form of the constitutive equations.

A.3 Reduced Form of the Constitutive Equations for a Thin Beam Operating in ‘31’
Mode
A common operating mode of a piezoelectric material is the ‘31’ mode, in which
the electric field is applied/produced in the 3-direction (it is common practice to align the
3-direction axis of the material with the poling direction, which is assumed here) and the
voltage is applied/generated in the 1-direction. For a thin beam allowing Euler-Bernoulli
beam assumptions operating in ‘31’ mode, the only non-zero stress component is in the
1-direction, giving.

𝑇2 = 𝑇3 = 𝑇4 = 𝑇5 = 𝑇6 = 0 A.14

Focusing on the electric field in the 3-direction, this leads to the following
reduced form of the constitutive equations (applying the first alternative representation
given in Eq. (A.11))

𝐸
𝑇1 = 𝐶11 𝑆1 − 𝑒31 𝐸3 A.15
𝑆
𝐷3 = 𝑒31 𝑆1 + 𝜀33 𝐸3 A.16

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Appendix B

Space Groups & The International Tables for Crystallography

From examination of a space group in "The International Tables for Crystallography"

Vol. A, you should be able to ascertain the following information:

 Herman-Mauguin (H-M) Symbol (Long, Short)

 Point Group (H-M, Schoenflies)
 Locate and identify symmetry elements
 Understand Wyckoff site multiplicity and symmetry
 Distinguish general and special positions
 Extinction conditions
 Identify possible subgroups and supergroups

Understanding the Herman-Mauguin Space Group Symbol

Space groups are typically identified by their short Herman-Mauguin symbol (i.e.
Pnma, I4/mmm, etc.). The symmetry elements contained in the short symbol are the
minimum number needed to generate all of the remaining symmetry elements. This
symbolism is a very efficient, condensed form of noting all of the symmetry present in a
given space group. We won’t go into all of the details of the space group symbol, but I
will expect you to be able to determine the crystal system, Bravais Lattice and point
group from the short H-M symbol. You should also be able to determine the presence and
orientation of certain symmetry elements from the short H-M symbol and vice versa.

The H-M space group symbol can be derived from the symmetry elements present
using the following logic.

The first letter identifies the centering of the lattice; I will hereafter refer to this as the
lattice descriptor:

 P Primitive
 I Body centered

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 F Face centered
 C C-centered
 B B-centered
 A A-centered

The next three symbols denote symmetry elements present in certain directions, those
directions are as follows

Crystal System Symmetry Direction

Primary Secondary Tertiary

Triclinic None

Monoclinic [010]

Orthorhombic [100] [010] [001]

Tetragonal [001] [100]/[010] [110]

Hexagonal/ [001] [100]/[010] [120]/[1 1̅ 0]

Trigonal

Cubic [100]/[010]/ [111] [110]

[001]

[100] – Axis parallel or plane perpendicular to the x-axis.

[010] – Axis parallel or plane perpendicular to the y-axis.
[001] – Axis parallel or plane perpendicular to the z-axis.
[110] – Axis parallel or plane perpendicular to the line running at 45 to the x and y
axes.
[11̅0] – Axis parallel or plane perpendicular to the long face diagonal of the ab face of a
hexagonal cell.
[111] – Axis parallel or plane perpendicular to the body diagonal.

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For a better understanding see specific examples from class notes. However, with no
knowledge of the symmetry diagram we can identify the crystal system from the space
group symbol.

 Cubic – The secondary symmetry symbol will always be either 3 or –3 (i.e. Ia3,
Pm3m, Fd3m)
 Tetragonal – The primary symmetry symbol will always be either 4, (-4), 41, 42 or
43 (i.e. P41212, I4/m, P4/mcc)
 Hexagonal – The primary symmetry symbol will always be a 6, (-6), 61, 62, 63,
64 or 65 (i.e. P6mm, P63/mcm)
 Trigonal – The primary symmetry symbol will always be a 3, (-3) 31 or 32 (i.e
P31m, R3, R3c, P312)
 Orthorhombic – All three symbols following the lattice descriptor will be either
mirror planes, glide planes, 2-fold rotation or screw axes (i.e. Pnma, Cmc21,
Pnc2)
 Monoclinic – The lattice descriptor will be followed by either a single mirror
plane, glide plane, 2-fold rotation or screw axis or an axis/plane symbol (i.e. Cc,
P2, P21/n)
 Triclinic – The lattice descriptor will be followed by either a 1 or a (-1).

The point group can be determined from the short H-M symbol by converting glide
planes to mirror planes and screw axes to rotation axes. For example:

Space Group = Pnma Point Group = mmm

Space Group = I4̅c2 Point Group =4̅m2
Space Group = P42/n Point Group = 4/m

The numbers and symmetry of normal mode vibrations can be well determined by
application of the group theory analysis. The results of the calculations using the site
symmetry method for each of the characteristic symmetry of the PMN-PT solid solutions
are given, in the tables, below. In each part, the first table is the character table specific
for the point group. The columns of the character table represent the classes of symmetry

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operations, while the rows designate the different irreducible representations. In addition,
the symmetry properties of the translational vectors, rotations and the polarizability
tensor components which provide the selection rules are included. In the character table
the symmetry of modes are presented using the Mulliken’s symbols. The meanings of
these symbols are as follows:

• A, B – one dimension representations, E – doubly degenerated representations, F –

triply degenerated representations
• A and B – symmetric and antisymmetric, respectively with respect to the main axis of
symmetry
• g and u – symmetric and antisymmetric, respectively with respect to the centre of
symmetry
• “and “– symmetric and antisymmetric, respectively with respect to the plane of
symmetry
• 1, 2, 3 – symmetric and antisymmetric, respectively with respect to the rotation axis
(Cn) or the rotation – reflection axis (Sn)

The second (and sometimes third) table presents the numbers and symmetry of the
vibrational modes characteristic for each ion according to its site symmetry. The sum
which includes both the acoustic and optic modes. On the basis of the selection rules
presented in the character table it is possible to determine numbers and symmetry of
modes which belong to the ᴦ𝑡𝑜𝑡𝑎𝑙 of the normal modes of all ions gives the mechanical
representation, i.e.ᴦ𝑎𝑐𝑜𝑢𝑠𝑡𝑖𝑐 , ᴦ𝑜𝑝𝑡𝑖𝑐 and finally ᴦ𝑅𝑎𝑚𝑎𝑛 .

̅𝒎)𝒂𝒏𝒅 𝑶𝟓𝒉 (𝑭𝒎𝟑

 𝑶𝟏𝒉 (𝑷𝒎𝟑 ̅𝒎)

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 𝑪𝟓𝟑𝑽 (𝑹𝟑𝒎)(𝒁 = 𝟏)𝒂𝒏𝒅 𝑪𝟓𝟑𝑽 (𝑹𝟑𝒎)(𝒁 = 𝟐)

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 𝑪𝟏𝑺 (𝑷𝒎)

 𝑪𝟏𝟒𝑽 (𝑷𝟒𝒎𝒎)

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 𝑪𝟏𝟐𝑽 (𝑷𝒎𝒎𝟐)

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Appendix C
Modeling Instructions in COMSOL-MULTIPHYSICS

MODEL WIZARD

1 Go to the Model Wizard window.

2 Click Next.

3 In the Add physics tree, select Structural Mechanics>Piezoelectric Devices (pzd).

4 Click Next.

5 Find the Studies subsection. In the tree, select Preset Studies>Stationary.

6 Click Finish.

GEOMETRY 1

Block 1

1 In the Model Builder window, right-click Model 1>Geometry 1 and choose Block.

2 Go to the Settings window for Block.

3 Locate the Size and Shape section. In the Width edit field, type 0.1.

4 In the Depth edit field, type 0.03.

5 In the Height edit field, type 0.018.

6 Click the Build Selected button.

Block 2

1 In the Model Builder window, right-click Model 1>Geometry 1 and choose Block.

2 Go to the Settings window for Block.

3 Locate the Size and Shape section. In the Width edit field, type 0.1.

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4 In the Depth edit field, type 0.03.

5 In the Height edit field, type 0.002.

6 Locate the Position section. In the z edit field, type 0.008.

7 Click the Build Selected button.

Block 3

1 In the Model Builder window, right-click Model 1>Geometry 1 and choose Block.

2 Go to the Settings window for Block

3 Locate the Size and Shape section. In the Width edit field, type 0.01.

4 In the Depth edit field, type 0.03.

5 In the Height edit field, type 0.002.

6 Locate the Position section. In the x edit field, type 0.055.

7 In the z edit field, type 0.008.

8 Click the Build Selected button.

9 Click the Zoom Extents button on the Graphics toolbar.

10 Click the Transparency button on the Graphics toolbar. The geometry in the
Graphics window should now look like that in Figureure 1.

11 Click the Transparency button on the Graphics toolbar

DEFINITIONS

Define a coordinate system whose third axis is aligned with the global x-axis, that is, the
polarization direction of the piezoceramic material. Choose the second axis to be parallel
to the global y-axis.

Base Vector System 2

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1 In the Model Builder window, right-click Model 1>Definitions and choose

Coordinate Systems>Base Vector System.

2 Go to the Settings window for Base Vector System.

3 Locate the Settings section. Find the Base vectors subsection. In the table, enter the
following settings

Table C.1 coordinate values

X Z
X1 0 -1
X3 1 0
Leave the other components at their default values. You will use this coordinate system
in the piezoelectric material settings

MAT E R I A L S

For the aluminum layers, use a library material.

For the foam core, specify the material properties by hand.

1 In the Model Builder window, right-click Model 1>Materials and choose Open
Material Browser. 2 Go to the Material Browser window.

3 Locate the Materials section. In the Materials tree, select MEMS>Metals>Al.

4 Right-click and choose

Add Material to Model from the menu.

ALUMINIUM

1 In the Model Builder window, click Model 1>Materials>Al.

2 Select Domains 1 and 3 only.

Material 2

1 In the Model Builder window, right-click Model 1>Materials and choose Material.

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2 Select Domains 2 and 5 only.

3 Go to the Settings window for Material

4 Locate the Material Properties section.

In the Material properties tree, select Solid Mechanics>Linear Elastic Material

Model>Young's Modulus and Poisson's Ratio.

5 Click Add to Material.

6 Locate the Material Contents section. In the Material contents table, enter the
following settings:
Table C.2 Properties

PROPERTY NAME VALUE

YOUNG’S MODULUS E 35.3e6
POISSON’S RATIO Nu 0.383
DENSITY RHO 32

The piezo ceramic PZT-5H is available as a predefined material in the MEMS Module.

7 In the Model Builder window, right-click Model 1>Materials and choose Open
Material Browser.

8 Go to the Material Browser window.

9 Locate the Materials section. In the Materials tree, select Piezoelectric>Lead

Zirconate Titanate (PZT-5H).

10 Right-click and choose Add Material to Model from the menu.

Lead Zirconate Titanate (PZT-5H)

1 In the Model Builder window, click Model 1>Materials>Lead Zirconate Titanate

(PZT-5H).

2 Select Domain 4 only.

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PIEZOELECTRIC DEVICES

Piezoelectric Material

Model 1

1 In the Model Builder window, expand the Model 1>Piezoelectric Devices node, then
click Piezoelectric Material Model 1.

2 Go to the Settings window for Piezoelectric Material Model.

3 Locate the Coordinate System Selection section.

From the Coordinate system list, choose Base Vector System 2.

Linear Elastic Material

Model 1

1 In the Model Builder window, right-click Model 1>Piezoelectric Devices and choose
Linear Elastic Material Model.

2 Select Domains 1–3 and 5 only.

Fixed Constraint 1

1 In the Model Builder window, right-click Model 1>Piezoelectric Devices and choose
the boundary condition Structural>Fixed Constraint.

2 Select Boundaries 1, 4, and 7 only.

Electric Potential 1

1 In the Model Builder window, right-click Model 1>Piezoelectric Devices and choose
the boundary condition Electrical>Electric Potential.

2 Select Boundary 16 only.

3 Go to the Settings window for Electric Potential.

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4 Locate the Electric Potential section. In the V0 edit field, type 20.

Ground 1

1 In the Model Builder window, right-click Model 1>Piezoelectric Devices and choose
the boundary condition Electrical>Ground.

Select Boundary 17 only

MESH 1

Free Tetrahedral 1

1 In the Model Builder window, right-click Model 1>Mesh 1 and choose Free
Tetrahedral

2 In the Settings window, click Build All. The mesh consists of around 3600 elements

Fig. C.1Meshed model

STUDY 1

In the Model Builder window, right-click Study 1 and choose Compute.

Follow the steps below to reproduce the plot shown in Figureure 2.

RESULTS

Potential (pzd)

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1 In the Model Builder window, click Results>Potential (pzd)>Slice 1.

2 Go to the Settings window for Slice.

3 Locate the Plane Data section. From the Plane list, choose zx-planes.

4 Click the Plot button.

5 Click the Zoom In button on the Graphics toolbar.

Displacement (pzd)

1 In the Model Builder window, expand the Results>Displacement (pzd) node, then
click Surface 1.

2 Go to the Settings window for Surface.

3 In the upper-right corner of the Expression section, click Replace Expression.

4 From the menu, choose Piezoelectric Devices>Displacement field, Z component (w).

5 Locate the Expression section. From the Unit list, choose nm.

6 Click the Plot button.

7 Click the Zoom Extents button on the Graphics toolbar.

8 Click the Scene Light button on the Graphics toolbar

This the process on how to generate a model cantilever beam with constraints on
one side and to find out the displacements and as well as voltage generated due to the
piezo layer in between the aluminium blocks. The same procedure is followed for the
PZT-5A , PZT-5H, PMN-PT crystal models. The only step to be followed is Changing
the material proprties and compute them.

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