FISIKA ZAT PADAT I

DOSEN : DR. IWANTONO, M.PHIL

JURUSAN FISIKA
FMIPA-UR

SISTEM KRISTAL
Kita tahu bahwa kisi ruang tiga dimensi
dibentuk dari pengulangan tiga vektor
translasi
non-coplanar
a,
b,
c.
Berdasarkan
parameter
kisi
kita
mempunyai 7 sistem kristal populer.
Bravais memperlihatkan bahwa titik
identik pada 7 sistem kristal dapat di atur
secara spasi membentuk 14 jenis pola
regular yang dikenal dengan Kisi Bravais

SISTEM KRISTAL
Crystal system

Unit vector Angles

Cubic

a= b=c

= ==90

Tetragonal

a = b c

= ==90

Orthorhombic a b c

= ==90

Monoclinic

abc

= =90

Triclinic

abc

90

Trigonal

a= b=c

= =90

Hexagonal

a= b c

==90
=120

14 BRAVAIS LATTICES
S.No

Crystal Type

Symbol

Cubic

Bravais
lattices
Simple

Tetragonal

Body
centred
Face
centred
Simple

Orthorhombic

Body
centred
Simple
Base
centred

2
3
4
5
6
7

F
P

8
9
10

Body
centred
Face
centred
Monoclinic Simple

11

I
F
P

12

Triclinic

Base
centred
Simple

13

Trigonal

Simple

14

Hexgonal

Simple

THREE CUBIC LATTICES

a1= a2 =a3
a1 a 2 a 3

1. Simple Cubic (SC)

Conventional Cell= Primitive
a3
Cell
a2

Add one atom at the

center of the cubic

a1

Add one atom

at the center
of each face

2. Body-Centered Cubic (BCC) 3. Face-Centered Cubic (FC

7
Conventional Cell Primitive

Vector r passing from the origin to a lattice point:

r = r1 a + r2 b + r 3 c
a, b, c fundamental translation vectors

Miller Indices for directions

(4,3)

(0,0)
5a + 3b

b
a

Miller indices [53]

[001]

[011]

[101]

[010]
[111]

[1 10]
[100]

[110]

Coordinates of the final point coordinates of the initial point

Reduce to smallest integer values

Family of directions
Index

Number in the family for cubic lattice

<100>

3x2=6

<110>

6 x 2 = 12

<111>

4x2=8

Symbol

Alternate
symbol

[]
<>

[[ ]]

Particular direction

Family of directions

Miller Indices for planes

(0,0,1)

(0,3,0)

(2,0,0)

Find intercepts along axes 2 3 1

Take reciprocal 1/2 1/3 1
Convert to smallest integers in the same ratio 3 2 6
Enclose in parenthesis (326)

Intercepts 1
Plane (100)
Family {100} 3

Intercepts 1 1
Plane (110)
Family {110} 6

Intercepts 1 1 1
Plane (111)
Family {111} 8
(Octahedral plane)

(111)
Family of {111} planes within the cubic unit cell

d111 a / 3 a 3 / 3
The (111) plane trisects the body diagonal

(111) Plane cutting the cube into two polyhedra

with equal volumes

Points about (hkl) planes

For a set of translationally equivalent lattice planes will divide:

Entity being divided

(Dimension containing the entity)
Cell edge (1D)

Diagonal of cell face (2D)

Body diagonal (3D)

Direction

number of parts

[100]

[010]

[001]

(100)

[011]

(k + l)

(010)

[101]

(l + h)

(001)

[110]

(h + k)

[111]

(h + k + l)

The (111) planes:

The portion of the central (111) plane as intersected by the various unit cells

Tetrahedron inscribed inside a cube

with bounding planes belonging to the
{111} family

8 planes of {111} family forming a

regular octahedron

Summary of notations

Alternate
symbols

Symbol
Direction

Plane

Point

[]

[uvw]

<>

<uvw>

()

(hkl)

{}

{hkl}

..

.xyz.

::

:xyz:

Particular direction

Family of directions

Particular plane

(( ))

Family of planes

[[ ]]

Particular point

Family of point

[[ ]]

A family is also referred to as a symmetrical set

 Unknown direction [uvw]

Unknown plane (hkl)
Double digit indices should be separated by commas (12,22,3)
In cubic crystals [hkl] (hkl)

d hkl

a
h k l
2

Condition

(hkl) will pass through

h even

midpoint of a

(k + l) even

face centre (001)

midpoint of face diagonal (001)

(h + k + l) even

body centre
midpoint of body diagonal

Index

Number of
members in a
cubic lattice

(100)
(110)
(111)
(210)

6
12
8
24

(211)
(221)
(310)

24
24
24

(311)
(320)
(321)

24
24
48

dhkl
d100 a
d110 a / 2 a 2 / 2

The (110) plane bisects the

face diagonal

d111 a / 3 a 3 / 3

The (111) plane trisects the

body diagonal

Multiplicity factor

Cubic
Hexagonal
Tetragonal
Orthorhombic
Monoclinic
Triclinic

hkl
48*
hk.l
24*
hkl
16*
hkl
8
hkl
4
hkl
2

hhl
24
hh.l
12*
hhl
8
hk0
4
h0l
2

hk0
24*
h0.l
12*
h0l
8
h0l
4
0k0
2

hh0
12
hk.0
12*
hk0
8*
0kl
4

hhh
8
hh.0
6
hh0
4
h00
2

h00
6
h0.0
6
h00
4
0k0
2

* Altered in crystals with lower symmetry (of the same crystal class)

00.l
2
00l
2
00l
2

BILANGAN KOORDINASI(COORDINATION NUMBER=CN )

Coordination Number (CN) : Jumlah tetangga

terdekat dari kisi Bravais
Karena kisi Bravasis periodik maka semua titiktitik mempunyai jumlah bilangan koordinasi
yang sama.

FAKTOR KEMASAN ATOM (ATOMIC

PACKING FACTOR=APF)
APF didefinisikan sebagai volume atom
yang mengisi sel satuan dibagi oleh
volume sel satuan.

KUBUS SEDERHANA (SMPLE CUBC

=SC)

c
a
Kemasan optimum

ATOMIC PACKING FACTOR OF SC

KARAKTERISTIK KUBUS SEDERHANA

Volume sel satuan=a.(bxc)=a3
Volume sel primitif= a.(bxc)=a3
Bilangan koordinasi=6
Jumlah atom tiap sel satuan=(1/8)x8=1
a
Jarak tetangga terdekat=a
Jejari bola atom=(1/2)a
APF=(2/6)
Rapat atom=1/ a3
3

KUBUS PUSAT BADAN )BODY CENTERED CUBIC=BCC)

BCC mempunyai dua titik kisi

sehingga BCC merupakan sel a nonprimitive.
BCC mempunyai 8 bilangan
koordinasi. Tiap atom pada arah
diagonal bidang saling bersentuhan.
Metal (Fe, Li, Na.. etc), termasuk
alkali mempunyai struktur BCC

ATOMC PACKNG FACTOR OF BCC

(0,433a)

Vektor translasi primitif BCC

I)

a1 1 a x y z
2

1 a x y z
a

2 2
a 1 a x y z
3 2

Vektor translasi primitif kisi kubus:

simple cubic

face-centered cubic

a1 ax

a 2 ay
a az
3

a1 1 a x y
2

1
a 2 2 a y z
a 1 a z x
3 2

a1 1 a x y z
2

body-centered cubic

1 a x y z
a

2 2
a 1 a x y z
3 2

EEE539 Solid State Electronics

FACE CENTERED CUBIC (FCC)

Ada atom pojok dan atom pusat muka.
Bilangan koordinasi sejumlah 12
Face centered cubic mempunyai 4 atom jadi
merupakan sel non primitive.
Kristal metals (Cu, Ni, Pb ..etc) berstruktur
FCC.

Face Centered Cubic (FCC)

ATOMC PACKNG FACTOR OF

FCC

0.74

FCC

(0,3535a)

Sel primitif FCC merupakan

jenis Kisi Bravais apa?

HEXAGONAL SYSTEM

A crystal system in which three equal coplanar axes

intersect at an angle of 60, and a perpendicular to the
others, is of a different length.

HEXAGONAL CLOSE PACKING (HCP)

40

TRICLINIC & MONOCLINIC CRYSTAL SYSTEM

Triclinic minerals are the least symmetrical. Their three
axes are all different lengths and none of them are
perpendicular to each other. These minerals are the most
difficult to recognize.

Triclinic (Simple)
90
o
a b c

Monoclinic (Simple)
= = 90o, 90o
a b c

Monoclinic (Base Centered)

= = 90o, 90o
a b c,

ORTHORHOMBIC SYSTEM

Orthorhombic (Simple) Orthorhombic (Base- Orthorhombic (BC)

= = = 90o
centred)
= = = 90o
a b c
= = = 90o
a b c
a b c

Orthorhombic (FC)
= = = 90o
a b c

TETRAGONAL SYSTEM

Tetragonal (P)
= = = 90o
a = b c

Tetragonal (BC)
= = = 90o
a = b c

RHOMBOHEDRAL (R) OR
TRIGONAL

Rhombohedral (R) or Trigonal (S)

a = b = c, = = 90o

DIAMOND STRUCTURE
C, Si, Ge, -Sn

Add 4 atoms to a FCC

Tetrahedral bond arrangement
Each atom has 4 nearest neighbors and
12 next nearest neighbors

45

Crystal Structures of
Elements

Kittel, pg. 23

Notice: hcp vs. fcc in same column

46

Hexagonal crystals Miller-Bravais Indices

a3

Intercepts 1 1 -
Plane (1 1 2 0)

(h k i l)
i = (h + k)

a2

a1

The use of the 4 index notation is to bring out the equivalence

between crystallographically equivalent planes and directions

Examples to show the utility of the 4 index notation

a3

a2

a1
Intercepts 1 -1

Intercepts 1 -1

Miller (1 1 0 )

Miller (0 1 0)

Miller-Bravais (1 1 0 0 )

Miller-Bravais (0 1 1 0)

Examples to show the utility of the 4 index notation

a3

a2

Intercepts 1 -2 -2
Plane (2 1 1 0 )

a1

Intercepts 1 1 -
Plane (1 1 2 0)

Intercepts 1 1 - 1
Plane (1 1 2 1)

Intercepts 1 1 1
Plane (1 0 1 1)

Directions Directions are projected onto the basis vectors to determine the components

[1120]

a1

a2

a3

Projections

a/2

a/2

Normalized wrt LP

1/2

1/2

Factorization

Indices

[1 1 2 0]

X-RAY DIFFRACTION

Diffraction - an optical grating

Path difference XY between
diffracted beams 1 and 2:
sin = XY/a

XY = a sin
X

Coherent incident light

Diffracted light

For 1 and 2 to be in phase and give constructive interference, XY = , 2, 3,

4..n
so

a sin = n

where n is the order of diffraction

Consequences: maximum value of for diffraction

sin = 1 a =
Realistically, sin <1 a >
So separation must be same order as, but greater than, wavelength of light.

Thus for diffraction from crystals:

Interatomic distances 0.1 - 2
so = 0.1 - 2
X-rays, electrons, neutrons suitable

X-ray
Tube

Diffraction from crystals

Detector

Incident radiation

Reflected radiation

1
2

Z
Y

Transmitted radiation

Incident radiation

Reflected radiation

1
2

Z
Y

Transmitted radiation

Beam 2 lags beam 1 by XYZ = 2d sin

so

2d sin = n

Braggs Law

e.g. X-rays with wavelength 1.54 are reflected from planes with d=1.2.
Calculate the Bragg angle, , for constructive interference.

= 1.54 x 10-10 m,

2d sin n
n
sin

2d
1

d = 1.2 x 10-10 m, =?

n=1 :

= 39.9

n=2 :

2d sin = n
We normally set n=1 and adjust Miller indices, to give
2dhkl sin =

(n/2d)>1

Example of equivalence of the two forms of Braggs law:

Calculate for =1.54 , cubic crystal, a=5
2d sin = n
(1 0 0) reflection, d=5
n=1,
=8.86o
n=2,
=17.93o
n=3,
=27.52o
n=4,
=38.02o
n=5,
=50.35o
n=6,
=67.52o
no reflection for n7

(2 0 0) reflection, d=2.5
n=1,

=17.93o

n=2,

=38.02o

n=3,
=67.52o
no reflection for n4

Use Braggs law and the d-spacing equation to solve a wide

variety of problems

2d sin = n
or

2dhkl sin =

1 h k l
2
2
2
2
d
a
b c
2

Combining Bragg and d-spacing equation

X-rays with wavelength 1.54 are reflected from the
(1 1 0) planes of a cubic crystal with unit cell a = 6 . Calculate the Bragg
angle, , for all orders of reflection, n.

1 h k l

2
d
a2
2

d 18
2

11 0

0.056
2
6

d = 4.24

d = 4.24

n
sin

2d
1

n=1:

= 10.46

= (1 1 0)

n=2:

= 21.30

= (2 2 0)

n=3:

= 33.01

= (3 3 0)

n=4:

= 46.59

= (4 4 0)

n=5:

= 65.23

= (5 5 0)

2dhkl sin =

EXAMINATION OF A STANDARD X-RAY DIFFRACTION

PATTERN

Fig. 8. X-ray diffraction pattern of

aluminium

Fig. 9. Comparison of x-ray diffraction pattern from

materials
with
different
cubic
crystal
structures

An analytical approach can also be used to

index diffraction patterns from materials
with a cubic structure.

SEKIAN
TERIMAKASIH