Miller Index

1 S5
2
 The crystal lattice

A point lattice is made up of regular, repeating points in space. An atom or group

of atoms are tied to each lattice point

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(c) 2003 Brooks/Cole Publishing / Thomson Learning™
Explore http://www.ibiblio.org/e-notes/Cryst/Cryst.htm 4
 Miller Indices, Directions

Determine the Miller indices of directions A, B, and C.

[111]
Convention Interpretation
(hkl) Planes
{} Equivalent Planes
[] Direction
<> Equivalent Directions

[100]

(c) 2003 Brooks/Cole Publishing / Thomson Learning™

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 Crystallographic Planes
• If the plane passes thru origin, either:
– Construct another plane, or
– Create a new origin
– Then, for each axis, decide whether plane intersects or parallels the
axis.
• Algorithm for Miller indices
1. Read off intercepts of plane with axes in terms of a, b, c
2. Take reciprocals of intercepts
3. Reduce to smallest integer values
4. Enclose in parentheses, no commas.

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 Crystallographic Planes
• Crystallographic planes are specified by 3 Miller Indices (h k l). All
parallel planes have same Miller indices.

<100> {100}
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 Crystallographic Planes
z
example a b c
1. Intercepts 1 1 ∞ c
2. Reciprocals 1/1 1/1 1/ ∞
1 1 0
3. Reduction 1 1 0 y
a b
4. Miller Indices (110)
x
z
example a b c
1. Intercepts ½ ∞ ∞ c
2. Reciprocals 1/½ 1/ ∞ 1/ ∞
2 0 0
3. Reduction 2 0 0
y
4. Miller Indices (200) a b
x

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 Crystallographic Planes

example a b c
1. Intercepts 1/2 1 3/4
2. Reciprocals 1/½ 1/1 1/¾
2 1 4/3 z
3. Reduction 6 3 4
c
4. Miller Indices (634) 

 y

a b
x

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 Plane ABCD OCBE
origin O O*
z
intercepts 1∞∞ 1 -1 ∞
E
reciprocals 1 0 0 1 -1 0
Miller _
B Indices (1 0 0) (1 1 0)
O O*

C
x

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 Family of Planes

• Planes that are crystallographically equivalent have the

same atomic packing.
• Also, in cubic systems only, planes having the same
indices, regardless of order and sign, are equivalent.

• Ex: {111}

= (111), (111), (111), (111), (111), (111), (111), (111)

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 Practice
Identify the planes in a, b, c
 Miller Indices, Directions

Determine the Miller indices of directions A, B, and C.

Convention Interpretation
(hkl) Planes
{} Equivalent Planes
[] Direction
<> Equivalent Directions

(c) 2003 Brooks/Cole Publishing / Thomson

Learning™

13
 Wafers

Convention Interpretation
(hkl) Plano
{} Planos equivalentes
[] Dirección
<> Direcciones equivalentes

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 Characteristics of Selected Elements at 20C

At. Weight Density Atomic radius

Element Symbol (amu) (g/cm3) (nm)
Aluminum Al 26.98 2.71 0.143
Argon Ar 39.95 ------ ------
Barium Ba 137.33 3.5 0.217
Beryllium Be 9.012 1.85 0.114
Boron B 10.81 2.34 ------ Adapted from
Table, "Charac-
Bromine Br 79.90 ------ ------ teristics of
Cadmium Cd 112.41 8.65 0.149 Selected
Calcium Ca 40.08 1.55 0.197 Elements",
inside front
Carbon C 12.011 2.25 0.071 cover,
Cesium Cs 132.91 1.87 0.265 Callister 6e.
Chlorine Cl 35.45 ------ ------
Chromium Cr 52.00 7.19 0.125
Cobalt Co 58.93 8.9 0.125
Copper Cu 63.55 8.94 0.128
Flourine F 19.00 ------ ------
Gallium Ga 69.72 5.90 0.122
Germanium Ge 72.59 5.32 0.122
Gold Au 196.97 19.32 0.144
Helium He 4.003 ------ ------
Hydrogen H 1.008 ------ ------

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 𝑚𝑎𝑠𝑠Τ𝑢𝑛𝑖𝑡_𝑐𝑒𝑙𝑙
Volume density 𝜌=
𝑣𝑜𝑙𝑢𝑚𝑒Τ𝑢𝑛𝑖𝑡_𝑐𝑒𝑙𝑙

Planar Atomic Density

#𝐸𝑞𝑢𝑖𝑣 𝑜𝑓 𝑎𝑡𝑜𝑚𝑠 𝑤ℎ𝑜𝑠𝑒 𝑐𝑒𝑛𝑡𝑒𝑟𝑠 𝑎𝑟𝑒 𝑖𝑛𝑡𝑒𝑟𝑠𝑒𝑐𝑡𝑒𝑑 𝑏𝑦 𝑠𝑒𝑙𝑒𝑐𝑡𝑒𝑑 𝑎𝑟𝑒𝑎
𝜌𝑝 =
𝑆𝑒𝑙𝑒𝑐𝑡𝑒𝑑 𝑎𝑟𝑒𝑎

Linear Atomic Density

#𝑜𝑓 𝑎𝑡𝑜𝑚𝑖𝑐 𝑑𝑖𝑎𝑚 𝑖𝑛𝑡𝑒𝑟𝑠𝑒𝑐𝑡𝑒𝑑 𝑏𝑦 𝑠𝑒𝑙𝑒𝑐𝑡𝑒𝑑 𝑙𝑒𝑛𝑔𝑡ℎ 𝑜𝑓 𝑙𝑖𝑛𝑒 𝑖𝑛 𝑑𝑖𝑟𝑒𝑐𝑡𝑖𝑜𝑛 𝑜𝑓 𝑖𝑛𝑡𝑒𝑟𝑒𝑠𝑡
𝜌𝑝 =
𝑆𝑒𝑙𝑒𝑐𝑡𝑒𝑑 𝑙𝑒𝑛𝑔𝑡ℎ 𝑜𝑓 𝑙𝑖𝑛𝑒
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 BCC

𝜌𝐵𝐶𝐶(110) =2 Á𝑡𝑜𝑚𝑜𝑠
2
𝑎

a2= 4R

𝜌𝐹𝐶𝐶(110) =2 Á𝑡𝑜𝑚𝑜
2𝑎2
=2 Á𝑡𝑜𝑚𝑜 𝜋𝑅2
8 2𝑅2

2𝑎= 4R 𝑎= 2 2R
𝜌𝑠𝐶(110) =1 Á𝑡𝑜𝑚𝑜
2𝑎2
𝜌𝐹𝐶𝐶(110) = =2 Á𝑡𝑜𝑚𝑜
2 Á𝑡𝑜𝑚𝑜 𝜋𝑅2
= 0.55
2𝑎2 8 2𝑅2

2𝑎= 4R 𝑎= 2 2R
 La dirección une dos puntos de la red cristalina

Final 0,0, 1
Inicio ½, 1, 0 -1/2, -1,1  2 *(-1/2, -1,1 )=-1,-2,2
Inicio 0,0,0
[122] Destino 1,1,1
[0 0 1]
Dirección [111]

Inicio 0,0,0
Final 1,1,1 [1 1 1]
[010]
Final 0,1, 0
Inicio 0,0,0

(c) 2003 Brooks/Cole Publishing / Thomson

Inicio 0, 0, 0
Learning™
Destino 1, 0,0 [100]
 BCC

# 𝑎𝑡𝑜𝑚𝑠 # 𝑎𝑡𝑜𝑚𝑠 Distance for [111]

LD= =
𝐿𝑒𝑛𝑔𝑡ℎ 𝐷𝑖𝑠𝑡𝑎𝑛𝑐𝑒

h=a 2 a
a
[111]

h=2 𝑎
a [110]
[100] 𝑎2 + 2𝑎2 =3𝑎2
4𝑅
h=a 2 4R= 3𝑎2 𝑎 =
3
Distance for [110]
[110]
[100] 4𝑅 2
h=a 2 = 2 =4 𝑎
3 3
Distance for [110]
Direction # atoms LD
3ൗ
[100] 1 4𝑅
3
[110] 1 ൗ4 2𝑅
[111] 2 1/2R
 iF RFe BCC =126pm

Direction # atoms LD LDFe

3ൗ
[100] 1 4𝑅 0.43/R
3
[110] 1 ൗ4 2𝑅 0.3/R
[111] 2 1/2R 0.5/R

LD[111]>LD[110]>LD[100]
For FCC in direction [110]

1 1
+1+ 2 1
𝐿𝐷 𝐹𝐶𝐶 110 = 2 2 = =
𝑟 + 2𝑟 + 𝑟 4𝑟 2𝑟

z
For FCC in the plane (100)
c
1 1 1 1 1 1
+ + + + +
𝜌𝐿 𝐹𝐶𝐶(100) = 4 2 4 4 2 4= 2
8𝑟 2 2 8𝑟 2 2
y
a b
x
A. (111)

B. (210)

A. (010)
Silicio
 # of Electrons
1 2 3
Z Name 1s 2s 2p 3s 3p 3d Notation
1
1H 1 1s
2 He 2 1s 2
3 Li 2 1 1s 2 2s 1
4 Be 2 2 1s 2 2s 2
5B 2 2 1 1s 2 2s 2 2p1
6C 2 2 2 1s 2 2s 2 2p2
7N 2 2 3 1s 2 2s 2 2p3
8O 2 2 4 1s 2 2s 2 2p4
9F 2 2 5 1s 2 2s 2 2p5
10 Ne 2 2 6 1s 2 2s 2 2p6
11 Na 2 2 6 1 1s 2 2s 2 2p6 3s 1
12 Mg 2 2 6 2 1s 2 2s 2 2p6 3s 2
13 Al 2 2 6 2 1 1s 2 2s 2 2p6 3s 2 3p1
14 Si 2 2 6 2 2 1s 2 2s 2 2p6 3s 2 3p2
15 P 2 2 6 2 3 1s 2 2s 2 2p6 3s 2 3p3
16 S 2 2 6 2 4 1s 2 2s 2 2p6 3s 2 3p4
17 Cl 2 2 6 2 5 1s 2 2s 2 2p6 3s 2 3p5
18 Ar 2 2 6 2 6 1s 2 2s 2 2p6 3s 2 3p6

Usar http://www.doitpoms.ac.uk/tlplib/crystallography3/questions.php
A.Avila 26
• 14 electrons occupying the 1st 3 energy levels:
– 1s, 2s, 2p orbitals filled by 10 electrons
– 3s, 3p orbitals filled by 4 electrons
To minimize the overall energy, the 3s and 3p orbitals hybridize
to form 4 tetrahedral 3sp orbitals
Each has one electron and
is capable of forming a bond
with a neighboring atom

Unit cell:

A.Avila 27
Unit cell:

AFP~ 34%
Number of atoms in a unit cell (lattice constant
= 5.431Å):
• 4 atoms completely inside cell
• Each of the 8 atoms on corners are shared among cells
 count as 1 atom inside cell
• Each of the 6 atoms on the faces are shared among 2
cells  count as 3 atoms inside cell
 Total number inside the cell = 4 + 1 + 3 = 8
• Cell volume:
(.543 nm)3 = 1.6 x 10-22 cm3
• Density of silicon atoms
= (8 atoms) / (cell volume) = 5 x 1022 atoms/cm3
GaAs
 R=135pm
Ga
69.72 g.

4 atomos 3 (69.72 g/mol) / (6.022 3 10 23 atomos/mol).

As R=119pm
74.92 g

4 atomos 3 (74.92 g/mol) / (6.022 10 23 atomos/mol)

𝑚 4(74.92+69.72)Τ(6.02𝑥10 23)
5.64 Angstroms = 0.564 nm 𝜌= = =5.33 g/ cm 3
𝑉 (5.65 3 10−8)−3

V=(5.65 3 10-8)-3 cm 3.

APF =(8 atoms/cell)(4𝜋/3)(0.1218 nm) 3 /0.1566 nm =0.38

38%
Does all the elements and compounds exist in one crystalline form?

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 Anisotropy

• The physical properties of single crystals of some substances depend on

the crystallographic direction in which measurements are taken.

• For example, the elastic modulus, electrical conductivity, and the index
of refraction may have different values in the [100] and [111] directions.

• The directionality of the properties is termed anisotropy and is

associated with the atomic spacing.

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 Isotropic

• If measured properties are independent of the direction of measurement

then they are isotropic.

• For many polycrystalline materials, the crystallographic orientations of

the individual grains are totally random.

• So, though, a specific grain may be anisotropic, when the specimen is

composed of many grains, the aggregate behavior may be isotropic.

Callister - Fundamentals of Materials Science and Engineering 5e

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Callister - Fundamentals of Materials Science and Engineering 5e
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 Single vs Polycrystals
• Single Crystals E (diagonal) = 273 GPa
-Properties vary with
direction: anisotropic.
-Example: the modulus
of elasticity (E) in BCC iron:
E (edge) = 125 GPa
• Polycrystals
200 mm
-Properties may/may not
vary with direction.
-If grains are randomly
oriented: isotropic.
(Epoly iron = 210 GPa)

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 Polycrystals
• Most crystalline solids are composed of many small crystals (also called
grains).
• Initially, small crystals (nuclei) form at various positions.
• These have random orientations.
• The small grains grow and begin to impinge on one another forming
grain boundaries.

Micrograph of a
polycrystalline stainless steel
showing grains and grain
boundaries

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