DIFRAKSI KRISTAL

Sinar-X
 Radiasi sinar-x dibangkitkan oleh tabung
sinar-x
 Spektrum keseluruhan bersifat
polikhromatis
 Panjang gelombang 0.01-7 nm (0.01x10-9
to 7x10-9 m)
 Electromagnetic Spectrum
X-ray radiation was discovered by
NMR Roentgen in 1895.
10 um - 10 mm
X-rays are generated by bombarding
electrons on an metallic anode

Emitted X-ray has a characteristic

wavelength depending upon which
700 to 104 nm
metal is present.
400 to 700 nm e.g. Wavelength of X-rays from Cu-
anode = 1.54178 Å
10 to 400 nm

10-1 to 10 nm E= hn= h(c/l)

10-4 to 10 -1 nm l(Å)= 12.398/E(keV)

Crystal

Detector
Goniometer
Neutron
 Berkas neutron dihasilkan dari reaksi inti
di dalam reaktor atom dan dalam
generator neutron
 Reaktor atom :

 Generator neutron :
 Panjang gelombang

 Klasifikasi neutron
Elektron
 Berkas elektron dihasilkan dari electron
gun
 Panjang gelombang :

 Kekurangan : hanya memberikan

informasi tentang permukaan saja
DIFRAKSI SINAR-X
 INTERFERENCE OF WAVES
• Constructive interference: mutual reinforcement of
the scattered x-rays. Can happen if the difference in
distances traveled by the various x-ray parallel beams
are a multiple of wavelength.
(d = n*l)
• Destructive interference: scattered beams are out of
phase and cancel each other. (d = n*l/2)
• Diffraction : constructive interference of x-rays
 BRAGG’S LAW
• Bragg’s law: the positions of
the discrete x-ray spots I the
diffraction pattern is caused
by the x-ray reflection by
equally spaced parallel
planes of atoms.
• Bragg’s law is
n l = 2 d sin
• n is the diffraction order
=1,2,..
• l: wavelength
• : Bragg’s angle
• d : spacing between
planes
• For cubic crystals,
d(hkl) = a/√(h2+k2+l2)
Crystal lattice plane hkl
REFLECTION PLANES IN CUBIC LATTICE
 EXAMPLE 1

• For a BCC crystal, compute the diffraction

angles of the (110) planes assuming d(110) =
0.1181 nm and a monochromatic x-ray of l
= 0.1541 nm.
• n =1
• sin  = l/(2*d) = 0.1541/(2*0.1181)
•  = arcsin (0.1541/(2*0.1181)) = 40.7
• Diffraction angle = 2*= 81.4
• n =2
•  = arcsin (2*0.1541/(2*0.1181)) = arcsin (1.305)
• Hence, 2nd order diffraction is not possible
 EXAMPLE 2

• Determine the diffraction angles when (111)

planes of Cu (a = 3.6151 Aº) are in
diffraction condition? l = 1.660 Aº
• d(111) = a/√(1+1+1) = 2.087 Aº
• For n=1
•  =arcsin (l/(2*d)) = 23.45º
• 2 = 46.9º
• For n=2
•  =arcsin (2l/(2*d)) = 52.7º
• 2 = 105.4º
• For n=3
•  =arcsin (3l/(2*d)) = arcsin (1.19)
• Not possible
 POWDER DIFFRACTION
• Powder diffractometer:
An x-ray instrument used to
determine angles of
diffraction (2) for a
polycrystalline specimen or a
powder as a function of
diffracted beam intensities.
The specimen must be flat
and polycrystalline.
 POWDER DIFFRACTION

• Each peak in the diffraction pattern correspond

to a set of crystallographic planes {hkl}
• Diffraction pattern can be used to:
• Identify crystalline phases
• Determine unit cell size and R
• Structure determination by indexing
Diffraction rules:
• SC all planes
• BCC h+k+l=even
• FCC h,k,l =all even or odd
REAL SPACE AND RECIPROCAL SPACE
CRYSTAL SPACE DIFFRACTION SPACE

CRYSTAL LATTICE RECIPROCAL LATTICE

DIFFRACTION
CRYSTAL PATTERN OF
CRYSTAL

UNIT CELL STRUCTURE

CONTENTS FACTORS
 Reciprocal Space a2

 There are 14 Bravais lattices with a1

primitive vectors a1, a2, and a3.
 The set of all wave vectors k that
yield plane waves with the
periodicity of a given Bravais
lattice is known as the reciprocal
lattice. REAL
 The primitive vectors of the
reciprocal lattice are found from: b2=2/a2
 
 a j  ak
bi  2  b1=2/a1
ai  (a j  ak 
 

 Where cyclic permutations of i, j,

and k generate the three primitive
vector components. RECIPROCAL

Ref: Ashcroft and Mermin, Solid State Physics (1976).

Reciprocal lattice types for some 3D
lattice