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Clase 8A Estructura - I Miller
Clase 8A Estructura - I Miller
Clase 8A Estructura - I Miller
1 S5
2
The crystal lattice
3
(c) 2003 Brooks/Cole Publishing / Thomson Learning™
Explore http://www.ibiblio.org/e-notes/Cryst/Cryst.htm 4
Miller Indices, Directions
[111]
Convention Interpretation
(hkl) Planes
{} Equivalent Planes
[] Direction
<> Equivalent Directions
[100]
5
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.
6
Crystallographic Planes
• Crystallographic planes are specified by 3 Miller Indices (h k l). All
parallel planes have same Miller indices.
<100> {100}
7
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
8
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
10
Family of Planes
• Ex: {111}
11
Practice
Identify the planes in a, b, c
Miller Indices, Directions
Convention Interpretation
(hkl) Planes
{} Equivalent Planes
[] Direction
<> Equivalent Directions
13
Wafers
Convention Interpretation
(hkl) Plano
{} Planos equivalentes
[] Dirección
<> Direcciones equivalentes
14
Characteristics of Selected Elements at 20C
15
𝑚𝑎𝑠𝑠Τ𝑢𝑛𝑖𝑡_𝑐𝑒𝑙𝑙
Volume density 𝜌=
𝑣𝑜𝑙𝑢𝑚𝑒Τ𝑢𝑛𝑖𝑡_𝑐𝑒𝑙𝑙
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
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
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.
As R=119pm
74.92 g
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.
38%
Does all the elements and compounds exist in one crystalline form?
32
Anisotropy
• For example, the elastic modulus, electrical conductivity, and the index
of refraction may have different values in the [100] and [111] directions.
33
Isotropic
36
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
37