Name: V nh Thng

Class: MSE-K56
Student ID: 20113349

EXPERIMENT 1
I.

II.

III.

Background:
X-rays scatter off of electrons, in a process of absorption and re-admission. Diffraction
is the accumulative result of the x-ray scattering of a group of electrons that are spaced in
an orderly array. For an incident X-ray photon of monochromatic wavelength , coherent
waves are produced from the sample at an angle of (2 with respect to the incident xray beam) if the electron groups interact with the x-ray beam and are spaced at a repeat
distance d. The interaction is described by Bragg's law : n=2dsin. The intensity of the
scattered x-ray is proportional to the number of electrons that the x-ray is scattered from.
Objective of experiment:
To observe diffraction patterns of materials by using x-ray diffraction method.
To understand the use of Braggs law and its relation to crystal structure.
To know the way to process collected data from the diffraction pattern
Materials:
The table below shows the values of 2 in diffraction pattern of Al, Si and TiN.
Peak
1
2
3
4
5
6
7
8
9
10
11

(Al)

38.52
44.76
65.14
78.26
82.47
99.11
112.03
116.6
137.47

(Si)

28.41
47.35
56.12
69.10
76.35
88.04
94.91
106.75
114.11
127.91
136.91

(TiN)

36.71
42.67
61.85
74.12
77.98
93.3
104.76
108.61
125.68

IV.

Equation:
Braggs law:

=2 d sin
d hkl=

For cubic crystal:

a
h +k 2 +l2
2

2 ( 2 2 2)
sin = 2 h + k + l
4a
2

We have:

sin2 2 2 2
(h m+ k m +lm )=h2 + k 2+ l2
2
sin m

(1)

Where: d is spacing
a is cubic parameter.
hkl is Miller index
2
2
2
The theoretical value of ( h +k +l ) for each structure:

Primitiv
e
BCC
FCC
Diamon
d

2
3
3

4
4
8

6
8
11

8
11
16

10
12
19

12
16
24

14
19
27

20
32

10

V. Calculation:
1. Material Al:
Way 1:
By using the equation (1), we have table 2:
Peak

1
2
3
4
5
6
7
8

(Al)

19.26
22.38
32.57
39.13
41.23
49.55
56.01
58.3

Primitive
structure
( h2 +k 2+l2 )
1
1.33
2.66
3.66
3.99
5.32
6.31
6.65

BCC
structure
( h2 +k 2+l 2 )
2
2.66
5.32
7.32
8
10.64
12.62
13.3

FCC
structure
( h2 +k 2+l 2 )
3
4
8
11
12
16
19
20

Diamond
structure
( h2 +k 2+l 2 )
3
4
8
11
12
16
19
20

68.73

7.98

16

24

24

As you can see from the table 2, Al has face central cubic structure, because the
2
2
2
calculated values of ( h +k +l ) is similar with those values in theory.
Therefore, we have:
( h 2+ k 2 +l2 ) 2 3 0.1542
2
a=
=
=0.163
4 0.108
4 sin 2
a= 0.163 = 0.404 (nm)
Way 2:
sin 2
2
=
= A( const)
h2+ k 2 +l 2 4 a2

Because

Pea
k
1
2
3
4
5
6
7
8
9

(Al)
19.2
6
22.3
8
32.5
7
39.1
3
41.2
3
49.5
5
56.0
1
58.3
68.7
3

sin
1
0.11
0.145
0.29
0.4
0.43
0.58
0.687
0.724
0.868

, we have the table 3:

sin
2

sin
3

sin
4

sin
5

sin
6

sin
7

sin
8

sin
9

sin
10

0.055

0.036

0.027

0.022

0.018

0.016

0.013

0.012

0.011

0.073

0.048

0.036

0.029

0.024

0.021

0.018

0.016

0.014

0.145

0.096

0.072

0.058

0.048

0.041

0.036

0.032

0.029

0.2

0.133

0.1

0.08

0.066

0.057

0.05

0.044

0.04

0.215

0.143

0.107

0.086

0.071

0.061

0.053

0.047

0.043

0.29

0.193

0.145

0.116

0.096

0.083

0.072

0.064

0.058

0.344
0.362

0.229
0.241

0.172
0.181

0.137
0.145

0.114
0.120

0.098
0.103

0.085
0.091

0.076
0.080

0.068
0.072

0.434

0.289

0.217

0.174

0.144

0.124

0.108

0.096

0.086

Base on the table 3, we can figure out the value of A which is repeated the most and smallest is
0.036.

a=

2
0.1542
=
=0.405(nm)
4A
4 0.036

2. Material Si:
Way 1:
By using the equation (1), we have table 4

Peak

1
2
3
4
5
6
7
8
9
10
11

(Si)

28.41
47.35
56.12
69.10
76.35
88.04
94.91
106.75
114.11
127.91
136.91

(Si)

Primitive
structure
( h2 +k 2+l2 )

14.20
23.67
28.06
34.55
38.17
44.02
47.45
53.37
57.05
63.95
68.45

1
2.68
3.68
5.34
6.34
8
9
10.7
11.7
13.4
14.37

BCC
structure
( h2 +k 2+l 2 )

FCC
structure
( h2 +k 2+l 2 )

Diamond
structure
( h2 +k 2+l 2 )

5.36
7.36
10.68
12.68
16
18
21.4
23.4
26.8
28.74

8
11
16
19
24
27
32
35
40
43

8
11
16
19
24
27
32
35
40
43

As you can see from the table 4, Si has diamond structure, because the calculated values
2
2
2
of ( h +k +l ) is similar with those values in theory.
Therefore, we have:
( h 2+ k 2 +l2 ) 2 3 0.1542
a2=
=
=0.296
4 0.06
4 sin 2
a= 0.296 = 0.544 (nm)
Way 2:

Because

sin 2
2
=
= A( const)
h2+ k 2 +l 2 4 a2

, we have the table 5:

Pea
k
1
2
3
4
5
6
7
8
9
10
11

sin2
1

(Si)
14.2
0
23.6
7
28.0
6
34.5
5
38.1
7
44.0
2
47.4
5
53.3
7
57.0
5
63.9
5
68.4
5

sin2
2

0.06

0.03

0.16

0.19

0.02
0.05
3
0.07
3
0.10
6
0.12
6

0.24

0.16

0.27

0.18
0.21
3
0.23
3

0.08

0.22

0.11

0.32

0.16

0.38
0.48
0.54
0.64

0.32

0.7

0.35
0.40
5

0.81
0.86

sin2
3

0.43

0.27
0.28
6

sin2
4

sin2
5

0.01
5

0.01
2
0.03
2
0.04
4
0.06
4
0.07
6
0.09
6
0.10
8
0.12
8

0.04
0.05
5
0.08
0.09
5
0.12
0.13
5
0.16
0.17
5
0.20
2
0.21
5

0.14
0.16
2
0.17
2

sin2
6
0.01
0.02
6
0.03
6
0.05
3
0.06
3
0.08
0.09
0.10
6
0.11
6
0.13
5
0.14
3

sin 2
7

sin2
8

sin2
9

sin2
10

0.00
8
0.02
3
0.03
1
0.04
5
0.05
4
0.06
8
0.07
7
0.09
1

0.00
7

0.00
6
0.01
7
0.02
4
0.03
5
0.04
2
0.05
3

0.00
6
0.01
6
0.02
2
0.03
2
0.03
8
0.04
8
0.05
4
0.06
4

0.1
0.11
5
0.12
3

0.02
0.02
7
0.04
0.04
7
0.06
0.06
7
0.08
0.08
7
0.10
1
0.10
7

0.06
0.07
1
0.07
7

0.07
0.08
1
0.08
6

0.09
0.09
5

Base on the table 5, we can figure out the value of A which is repeated the most and
smallest is 0.02.
a=

2
0.1542
=
=0.544(nm)
4A
4 0.02

3. Material TiN:
Way 1 :
By using the equation (1), we have table 6:
Peak

1
2
3
4

(Si)

36.71
42.67
61.85
74.12

(Si)

18.35
21.33
30.92
37.06

Primitive
structure
( h2 +k 2+l2 )
1
1.33
2.66
3.66

BCC
structure
( h2 +k 2+l 2 )
2
2.66
5.32
7.32

FCC
structure
( h2 +k 2+l 2 )
3
4
8
11

Diamond
structure
( h2 +k 2+l 2 )
3
4
8
11

sin2
11
0.005
0.014
0.02
0.029
0.034
0.043
0.049
0.058
0.063
0.073
0.078

5
6
7
8
9

77.98
93.3
104.76
108.61
125.68

38.99
46.65
52.38
54.30
62.84

4
5.33
6.33
6.65
8

8
10.66
12.66
13.3
16

12
16
19
20
24

12
16
19
20
24

As you can see from the table 6, TiN has face central cubic structure, because the
2
2
2
calculated values of ( h +k +l ) is similar with those values in theory.
Therefore, we have:
( h 2+ k 2 +l 2 ) 2 3 0.1542
2
a=
=
=0.178
4 0.1
4 sin 2
a= 0.178 = 0.422 (nm)
Way 2:

Because

Pea
k
1
2
3
4
5
6
7
8
9

sin2
1

(TiN)
18.35
0.1
21.33 0.132
30.92 0.264
37.06 0.363
38.99 0.396
46.65 0.528
52.38 0.627
54.30 0.66
62.84 0.79

sin 2
2
=
= A( const)
2
2
2
2
h + k +l 4 a

sin2
2
0.05
0.066
0.132
0.181
0.198
0.264
0.313
0.33
0.395

sin2
3
0.033
0.044
0.088
0.121
0.132
0.176
0.209
0.22
0.263

sin2
4
0.025
0.033
0.066
0.090
0.099
0.132
0.156
0.165
0.197

sin2
5
0.02
0.026
0.052
0.072
0.079
0.105
0.125
0.132
0.158

, we have the table 7:

sin2
6
0.016
0.022
0.044
0.060
0.066
0.088
0.104
0.11
0.131

sin2
7
0.014
0.018
0.037
0.051
0.056
0.075
0.089
0.094
0.112

sin2
8
0.012
0.016
0.033
0.045
0.049
0.066
0.078
0.082
0.098

sin2
9
0.011
0.014
0.029
0.040
0.044
0.058
0.069
0.073
0.087

Base on the table 5, we can figure out the value of A which is repeated the most and
smallest is 0.033.

sin2
10
0.01
0.013
0.026
0.036
0.039
0.052
0.062
0.066
0.079

sin2
11
0.009
0.012
0.024
0.033
0.036
0.048
0.057
0.06
0.071

a=

VI.

2
0.1542
=
=0.422(nm )
4A
4 0.033

Conclusion:

Al has face central cubic structure and cubic parameter a= 0.405(nm)

Si has diamond structure and cubic parameter a= 0.544 (nm)

TiN has face central cubic structure and cubic parameter a= 0.422(nm)