Module 2

Department of Electrical and
Electronics Engineering
BITS Pilani Dr. Satyendra Kumar Mourya,

Pilani Campus
Assistant Professor
Device fabrication technology
 Wafer growth
 Wafer cleaning
 Oxidation
 Lithography
 Etching
 Doping
 Metallization
 Packaging
2
IC Fabrication Dr. Satyendra K Mourya BITS Pilani, Pilani Campus
Classification of Solids
SOLID STATE MATERIALS
AMORPHOUS
CRYSTALLINE POLYCRYSTALLINE
(Non-crystalline)
Single Crystal
3
Chip manufacturing
https://www.youtube.com/watch?v=bor0qLifjz4
4
Why study crystal structures?
 When we look around much of what we see is non-crystalline (organic things like
wood, paper, sand; concrete walls, etc.  some of the things may have some
crystalline parts!).
 But, many of the common ‘inorganic’ materials are ‘usually*’ crystalline:
◘ Metals: Cu, Zn, Fe, Cu-Zn alloys
◘ Semiconductors: Si, Ge, GaAs
◘ Ceramics: Alumina (Al2O3), Zirconia (Zr2O3), SiC, SrTiO3.
 Also, the usual form of crystalline materials (say a Cu wire or a piece of alumina)
is polycrystalline and special care has to be taken to produce single crystals.
 Polymeric materials are usually not ‘fully’ crystalline.
 The crystal structure directly influences the properties of the material
* Many of the materials which are usually crystalline can also be

obtained in an amorphous form
5
What is a crystal?
Lattice + Basis = Crystal
6
Structures of Solids
Unit Cells
7
8
9
Crystal system
10
Simple Cubic (SC) Lattice + Sphere Motif
Graded Shading to give 3D effect
Note: SC is a lattice & when we decorate it with a

single sphere motif (e.g. Polonium atom), then we
get a crystal, which is in ‘common usage’ language
referred to as a SC crystal.
Conventional Unit cell of the SC lattice

Simple Cubic Crystal
 If these spheres were ‘spherical atoms’ then the atoms would be touching each other.
 The kind of model shown is known as the ‘Ball and Stick Model’.
 In the true unit cell 1/8th of the atom is within the unit cell. 11
Body Centered Cubic (BCC) Lattice + Sphere Motif
=
Unit cell of the BCC lattice
Body Centered Cubic Crystal

Space filling model
So when one usually talks about a BCC crystal what is meant is a BCC
lattice decorated with a mono-atomic motif
Central atom is coloured differently for better visibility
Note: BCC is a lattice and not a crystal 12
Face Centered Cubic (FCC) Lattice + Sphere Motif
Unit cell of the FCC lattice =
Cubic Close Packed Crystal

Space filling model (Sometimes casually called the FCC crystal)
So when one talks about a FCC crystal what is meant

is a FCC lattice decorated with a mono-atomic motif
Note: FCC is a lattice and not a crystal
13
Hexagonal Close-Packed Structure (HCP)
• ABAB... Stacking Sequence

• 3D Projection • 2D Projection
A sites Top layer

c
B sites Middle layer
A sites Bottom layer

a Adapted from Fig. 3.3(a),
Callister & Rethwisch 4e.
• Coordination # = 12 6 atoms/unit cell

• APF = 0.74 ex: Cd, Mg, Ti, Zn
• c/a = 1.633 14
Coordination Number
• For a Bravais Lattice, the

Coordinatıon Number  The number of lattice points closest to a
given point
(number of nearest-neighbors of each point).
• Because of lattice periodicity, all lattice points have the same
number of nearest neighbors or coordination number.
(Coordination number is intrinsic to the lattice.)
Examples
1. Simple Cubic (SC) coordination number = 6
2. Body-Centered Cubic coordination number = 8
3. Face-Centered Cubic coordination number = 12
15
Atomic Packing Factor
Atomic packing factor shows us how dense the unit cell is:
Volume of atoms in a unit cell

APF 
Total unit cell volume
APF = 1 ......... Unit cell is filled with atoms

APF = 0 ......... Unit cell is empty
16
Simple Cubic Structure (SC)
• Rare due to low packing density (only Po has this structure)
• Close-packed directions are cube edges.
• Coordination # = 6
(# nearest neighbors)
17
Atomic Packing Factor (APF)
• APF for a simple cubic structure = 0.52
a
volume
R=0.5a atoms atom
4
unit cell 1 p (0.5a) 3
close-packed directions 3
APF =
contains 8 x 1/8 =
1 atom/unit cell a3 volume
Adapted from Fig. 3.43,
Callister & Rethwisch 4e. unit cell
18
Body Centered Cubic Structure (BCC)
• Atoms touch each other along cube diagonals.
--Note: All atoms are identical; the center atom is shaded
differently only for ease of viewing.
ex: Cr, W, Fe (), Tantalum, Molybdenum
Adapted from Fig. 3.2,

Click once on image to start animation Callister & Rethwisch 4e.
(Courtesy P.M. Anderson)
2 atoms/unit cell: 1 center + 8 corners x 1/8
19
Atomic Packing Factor: BCC
3a
2a
R Close-packed directions:
Adapted from
Fig. 3.2(a), Callister &
a length = 4R = 3 a
Rethwisch 4e.
atoms volume
4
unit cell 2 p ( 3a/4) 3
3 atom
APF = • APF = 0.68
volume
a3
unit cell 20
Face Centered Cubic Structure (FCC)
• Atoms touch each other along face diagonals.
--Note: All atoms are identical; the face-centered atoms are shaded
differently only for ease of viewing.
ex: Al, Cu, Au, Pb, Ni, Pt, Ag
Adapted from Fig. 3.1, Callister & Rethwisch 4e.

Click once on image to start animation
(Courtesy P.M. Anderson) 4 atoms/unit cell: 6 face x 1/2 + 8 corners x 1/8
21
Atomic Packing Factor: FCC
maximum achievable APF
Close-packed directions:
length = 4R = 2 a
2a
Unit cell contains:
6 x 1/2 + 8 x 1/8
= 4 atoms/unit cell
a
Adapted from
Fig. 3.1(a),
Callister & atoms volume
Rethwisch 4e. 4
unit cell 4 p ( 2a/4) 3
3 atom
APF =
3 volume
a
• APF = 0.74 unit cell 22
The Hexagonal Close Packed (HCP)
(a) The Hexagonal Close

Packed (HCP) Structure. A
collection of many Zn
atoms. Color difference
distinguishes layers (stacks).
(b) The stacking sequence of
closely packed layers is
ABAB
(c) A unit cell with reduced
spheres
(d) The smallest unit cell
with reduced spheres.
23
24
Atomic Densities
 Linear Density
– Number of atoms per length whose centers lie on the direction vector for a
specific crystallographic direction.
 Planar Density
– Number of atoms per unit area that are centered on a particular
crystallographic plane.
25
Linear and Planar Density
 Why do we care?
 Properties, in general, depend on linear and planar
density.
• Examples:
Speed of sound along directions
Slip (deformation in metals) depends on linear and planar
density
Slip occurs on planes that have the greatest density of
atoms in direction with highest density
we would say along closest packed directions on the closest packed planes
26
Densıty Computatıon
Since the entire crystal can be generated by the
repetition of the unit cell, the density of a
crytalline material can be calculated based on the
density of the unit cell.
 : Density of the unit cell
nM n : Number of atoms in the unit cell
 M : Mass of an atom
Vc Vc : Volume of the cell
Mass of an atom is given in the periodic table in atomic mass units
(amu) or gr/mol. To convert (amu) to (gr) use avagadro’s number.
27
Densıty Computatıon
Avagadro’s number, NA= 6.023x1023 atoms/mol

Therefore,
 : Density of the unit cell
n : Number of atoms in the unit cell
nA
 A : Atomic mass
Vc N A
Vc : Volume of the cell
NA : Avagadro’s number
28
Theoretical Density, 
Mass of Atoms in Unit Cell

Density =  =
Total Volume of Unit Cell
nA
 =
VC NA
where n = number of atoms/unit cell

A = atomic weight
VC = Volume of unit cell = a3 for cubic
NA = Avogadro’s number
= 6.022 x 1023 atoms/mol
29
Theoretical Density
• Ex: Cr (BCC)
A = 52.00 g/mol
R = 0.125 nm
Ra n = 2 atoms/unit cell
Adapted from a = 4R/ 3 = 0.2887 nm

Fig. 3.2(a), Callister &
Rethwisch 4e.
atoms
g
unit cell 2 52.00 theoretical = 7.18 g/cm3
mol
= actual = 7.19 g/cm3
a3 6.022 x 1023
volume atoms
unit cell mol 30
Densities of Material Classes
In general Graphite/
metals > ceramics > polymers
Metals/ Composites/
Ceramics/ Polymers
Alloys fibers
Semicond
30
Why? Platinum
Based on data in Table B1, Callister
*GFRE, CFRE, & AFRE are Glass,
20 Gold, W
Metals have... Tantalum Carbon, & Aramid Fiber-Reinforced
Epoxy composites (values based on
• close-packing 60% volume fraction of aligned fibers
10 Silver, Mo in an epoxy matrix).
(metallic bonding) Cu,Ni
Steels
• often large atomic masses Tin, Zinc
Zirconia
 (g/cm3 )
5
Ceramics have... 4
Titanium
Al oxide
• less dense packing 3
Diamond
Si nitride
Aluminum Glass -soda
• often lighter elements Concrete
Silicon PTFE
Glass fibers
GFRE*
2 Carbon fibers
Polymers have... Magnesium Graphite
Silicone CFRE*
Aramid fibers
PVC
• low packing density PET
PC
AFRE*
1 HDPE, PS
(often amorphous) PP, LDPE
• lighter elements (C,H,O)
0.5
Composites have... 0.4
Wood
• intermediate values 0.3

Data from Table B.1, Callister & Rethwisch, 4e.
31

Linear Density
Number of atoms
• Linear Density of Atoms  LD =
Unit length of direction vector
[110] ex: linear density of Al in [110]

direction
a = 0.405 nm
# atoms
2
LD   3.5 nm -1
a
length 2a
32
Planar Densıty
 When slip occurs under stress, it takes place on the

planes on which the atoms are most densely packed.
# of atoms in a plane z
δ(hkl) =
area
Example: FCC unit cell
4*1/4+1 2 y
δ(100)= = a2 (100)
a2
1 x a2
a= 4 r δ(100)=
2 4r2
33
Planar Density of (100) Iron
Solution: At T < 912C iron has the BCC structure.
2D repeat unit
(100) 4 3
a R
3
Adapted from Fig. 3.2(c), Callister & Rethwisch 4e. Radius of iron R = 0.1241 nm
atoms
2D repeat unit 1
1 atoms atoms
19
Planar Density = = 2 = 12.1 = 1.2 x 10
area a2 4 3 nm 2 m2
R
2D repeat unit 3
34

Planar Density of (111) Iron 1 atom in plane/ unit surface cell
Solution (cont): (111) plane atoms in plane
2a
atoms above plane
atoms below plane
3
h a
2
2
 4 3  16 3 2
area  2 ah  3 a  3 
2
R   R
atoms  3  3
2D repeat unit 1
atoms = atoms
Planar Density = = 7.0 0.70 x 1019
nm 2 m2
area 16 3 2
R
2D repeat unit 3
35

SUMMARY
sc: 52.4% of space occupied by spheres
bcc: 68.0% of space occupied by spheres
fcc: 74.0% of space occupied by spheres
hcp: 74.0% of space occupied by spheres
36
Miller Indices
 set of three possible integers represented as (h k l)
 reciprocals of the intercepts made by the plane on the three

crystallographic axes
 designate plane in the crystal.
37
Procedure for finding Miller Indices
 Step 1 : Determine the intercepts of the plane along the axes
 Step 2 : Determine the reciprocals of these numbers.
 Step 3 : Find the LCD and multiply each by this LCD
 Step 4 : Write it in paranthesis in the form (h k l).
38
Illustration
Step 1 : intercepts - 2a,3b and 2c
Step 2 : reciprocals - 1/2, 1/3 and 1/2.
Step 3 : LCD is ‘6’.

Multiply each reciprocal by lcd,
we get, 3,2 and 3.
Step 4 : Miller indices for the plane

ABC is (3 2 3)
39
Example
 intercepts are 1,  and .
 reciprocals of the intercepts are

1/1, 1/ and 1/.
 Miller indices for the plane is (1 0 0).
40
Directions
41
Directions Continued
42
Directions Continued
43
CrystalPlanes
44
IndexingPlanes
45
46
Important Features Of Miller Indices
 a plane parallel to the axes has an intercept of infinity ().
 a plane cuts an axis on the negative side of the origin, is

represented by a bar, as ( ͞1 0 0).
 a plane passing through the origin have non zero intercepts
 All equally spaced parallel planes have same Miller indices

47
Crystal structure and orientation effects
For BJT  normally (1 1 1) orientation
For MOSFET  normally (1 0 0) orientation
(1,0,0) (1,1,0) (1,1/2,1/2)
(1/2,1/2,0)
(1,0,1) (1,1,1)
(1/2,0,1/2) (1/2,1,1/2)
(1/2,1/2,1)
(0,0,0) (0,1,0)
(0,1/2,1/2)
(0,0,1) (0,1,1)
(Simple Cubic Lattice) (f.c.c Lattice)
48
Zincblende structure
Two interpenetrating f.c.c sublattice
(1/4, 1/4, 1/4) (1/4, 3/4, 3/4)
(3/4, 1/4, 3/4) (3/4, 3/4, 1/4)
Eg: GaAs
Si is a degenerated form of Zincblende

structure
Diamond crystal structure: same Si f.c.c sublattices
49
Zincblende structure
Minimum distance between two atoms:
1  1  1 
2 2 2
3
 -0    -0    -0  
4  4  4  4
3
If the lattice constant is ‘a’, minimum distance = 4
a
Four neighbours, making a tetrahedral
The minimum distance between two atoms is

when they touching each other.
3
Radius= a
3 8
a
4
Tetrahedral Radius
50
For Si  a=5.43 A0
r0=1.18 A0
calculation of packing density
Check the number atoms there in a

particular unit cell
Eg:
1
Contribution of f.c atoms = x6 3
2
Contribution of the second Total atoms=8 (full sphere)
sublattice atoms = 1x4 4
51
4 3
pr For one sphere
3
4  3 
3
Total volume occupied by these atoms => =8x 3 p  8 a 

 
3 p 3
 a
16
Volume occupied by the atoms inside the unit cell.

Volume of unit cell is a3.
So, the volume occupied by the atoms inside the crystal w.r.t the total
crystal volume  3p ≈ 34%
16
Note: zinc blende structure, the packing density is 34% i.e., 34% of the total
unit cell volume is occupied by the atoms.
52
Doping in Si
• The impurity atoms should replace the silicon atoms.
• Many of these positions should be taken off by the impurity atoms.
• One impurity atom it goes and substitutes one silicon atom.
• r0 of Si = 1.18.
• The impurity atom may or may not have the same tetrahedral radius
 Strain  dictate the electronic activity.
• The impurity atoms will be electronically active only when they have
occupied the proper positions in the lattice by substituting a Si atom.
Material Si P As Sb B
r0 (A0) 1.18 1.1 1.18 1.36 0.88
53
• ε = misfit factor
• The tetrahedral radius of the impurity atom as rimpurity = r0 (1+ ε)
Tetrahedral radius of Si
Material Si P As Sb B
r0 (A0) 1.18 1.1 1.18 1.36 0.88
ε 0.068 0 0.15 0.25
Note 1: The larger the ε, the more difficult it is going to be to make the dopant
electronically active.
Note 2: It is more difficult to have a heavily doped p-type region in silicon
compared to an n+ region in silicon  it is easier to fabricate an npn transistor
than a pnp transistor
54
Crystal Planes
x (1 0 0)
{1 1 1}
Definition of a plane
x y z
  1
a b c
(0 1 0)
hx  ky  lz  1
y
Miller Indices
z {1 1 0}
(0 0 1)
The entire family = {1 0 0}  intercept to only one axis and parallel to
other two
• Depending on the particular plane, the properties of the material will differ 55
{1 0 0} family
Contribution of corner atom = 4*1/4 = 1

Contribution of f.c atom = 1*1 = 1
Density of atoms = 2/a2
56
{1 1 0} family
√2a
(1/4, 3/4, 3/4)

(3/4, 1/4, 3/4)
a
Contribution of corner atom = 4*1/4 = 1 4

Density of atoms =
Contribution of f.c atom = 2*1/2 = 1 2a2
Contribution other sublattice atom = 2*1 = 2 2 2

a2 57

{1 1 1} family
x
h
x/2 3
h x x  2a
2
Contribution of corner atom = 3*1/6 = 1/2 Area of equilateral

 3 x2
Contribution of f.c atom = 3*1/2 = 3/2 triangle 4
4 3
Density of atoms =  a2
3a2 2 58
Summary
Plane Package Density
{1 0 0} 2 a2
{1 1 0} 2 2 a2
{1 1 1} 4 3a2
Note: the packing density in {1 0 0} plane is the lowest
59
Few other properties
Angle θ between two planes (u1 v1 w1) and (u2 v2 w2) is
u1u2  v1v2 w1w2
cos 
u2
1 
 v12  w12 u22  v22  w22 
Line of intersection of three planes [u v w]
u = v1w2 – v2w1
v = w1u2 – w2u1
w = u1v2 – u2v1
a
Separation between two adjacent parallel planes: d 
h2  k 2 l2
• Note: the relation of the angle between two planes and the separation between two
planes are going to be quite important along with the atomic density of each plane
• that will tell us for any particular application what should be the crystal orientation.
60
Eg: (1 0 0), the separation is simply ‘a’
a
d a
1  0 0
2 2 2
a a
Eg: (1 1 0), the separation is: d  
1212 02 2
a a
Eg: (1 1 1), the separation is: d  
1212 12 3
• The (1 1 1) planes are the least spacing between two adjacent parallel
planes/closely spaced together.
• it is easiest to grow it in the [1 1 1] direction because, the (1 1 1)
planes are most closely spaced together.  cheaper  All BJT
• Difficult to etch 61
• Suppose you have an (1 0 0) wafer. You have exposed it to a selective etchant,
which is going to expose the (1 1 1) planes
1x1 0x1 0x1 1

cos   54.740
3x1 3
54.740
• V-group etching
• Eg. U-MOS, V-MOS (can achieve very small L without crucial

photolithography)  can also be used to separate two devices 62
• (1 1 1) plane has the highest tensile strength and modulus of elasticity
i.e. very hard to break.
• How to cut pieces?
• Scribe using diamond tipped tool

• The natural cleavage plane is (1 1 1)
If (1 0 0) wafer  cleaving  expose (111) planes here.

Direction  (1 1 0)
Advantage of (1 0 0) plane
63
Suppose you have (1 1 1) wafer  natural cleavage plane is (1 1 1)
• The surface (1 1 1) plane must meet the bulk (1 1 1) plane
If (1 1 1) wafer  (1 1 1) & (1 1 1)  θ = 70.530 & Direction = (1 1 0)
• If the surface is (1 0 0), this angle is going to be 54.740, if the surface is (1 1

1), it is going to make an angle of 70.530. But, the important point is even
these two planes they are going to meet in (1 1 0) direction.
• Difficult to cleave (1 1 1) plane.
• Home work: if (1 1 0) wafer
64
• Si  degenerated zincblende  diamond
• Properties & Orientations
• But in all the discussions, the crystal is perfect/ideal

Regular arrangements of atoms
• Inside the Diamond structure  tetrahedral structure
• Problem: in the surface
Dangling bonds  defects
65
BITS Pilani
Pilani Campus
Thank You
BITS Pilani, Pilani Campus

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Department of Electrical and

BITS Pilani Dr. Satyendra Kumar Mourya,

SOLID STATE MATERIALS

* Many of the materials which are usually crystalline can also be

Lattice + Basis = Crystal

Note: SC is a lattice & when we decorate it with a

Conventional Unit cell of the SC lattice

Body Centered Cubic Crystal

Unit cell of the FCC lattice =

Cubic Close Packed Crystal

So when one talks about a FCC crystal what is meant

• ABAB... Stacking Sequence

A sites Top layer

A sites Bottom layer

• Coordination # = 12 6 atoms/unit cell

• For a Bravais Lattice, the

Volume of atoms in a unit cell

APF = 1 ......... Unit cell is filled with atoms

• APF for a simple cubic structure = 0.52

Adapted from Fig. 3.2,

Adapted from Fig. 3.1, Callister & Rethwisch 4e.

(a) The Hexagonal Close

Avagadro’s number, NA= 6.023x1023 atoms/mol

Mass of Atoms in Unit Cell

where n = number of atoms/unit cell

Adapted from a = 4R/ 3 = 0.2887 nm

• intermediate values 0.3

IC Fabrication Dr. Satyendra K Mourya BITS Pilani, Pilani Campus

[110] ex: linear density of Al in [110]

 When slip occurs under stress, it takes place on the

IC Fabrication Dr. Satyendra K Mourya BITS Pilani, Pilani Campus

IC Fabrication Dr. Satyendra K Mourya BITS Pilani, Pilani Campus

sc: 52.4% of space occupied by spheres

bcc: 68.0% of space occupied by spheres

fcc: 74.0% of space occupied by spheres

hcp: 74.0% of space occupied by spheres

 set of three possible integers represented as (h k l)

 reciprocals of the intercepts made by the plane on the three

 designate plane in the crystal.

 Step 1 : Determine the intercepts of the plane along the axes

 Step 2 : Determine the reciprocals of these numbers.

 Step 3 : Find the LCD and multiply each by this LCD

 Step 4 : Write it in paranthesis in the form (h k l).

Step 2 : reciprocals - 1/2, 1/3 and 1/2.

Step 3 : LCD is ‘6’.

Step 4 : Miller indices for the plane

 intercepts are 1,  and .

 reciprocals of the intercepts are

 Miller indices for the plane is (1 0 0).

 a plane parallel to the axes has an intercept of infinity ().

 a plane cuts an axis on the negative side of the origin, is

 a plane passing through the origin have non zero intercepts

 All equally spaced parallel planes have same Miller indices

Si is a degenerated form of Zincblende

Diamond crystal structure: same Si f.c.c sublattices

Four neighbours, making a tetrahedral

The minimum distance between two atoms is

calculation of packing density

Check the number atoms there in a

Total volume occupied by these atoms => =8x 3 p  8 a 

Volume occupied by the atoms inside the unit cell.

Contribution of corner atom = 4*1/4 = 1