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Diffraction Geometry
Objectives
Investigate the relationship between the geometry of
diffraction and the orientation of crystallographic planes in
single crystals
Plot crystallographic planes and diffraction experiments in
reciprocal space
Experiment
Diffraction of Si powder
Diffraction of single crystal Si (001)
Locate diffraction peaks from single crystal wafer
Copper X - ray source (Cu k1)
40 KV, 30 mA for powder scan
40 KV, 30 mA for Si (001)
Powder Diffraction
(110)
(200)
(211)
Si PDF
(004)
10
10
Single Crystal Si
Powdered Si
10
Intensity (cps)
10
10
10
(220)
10
10
-1
10
-2
10
10
20
30
40
50
60
70
2 (degrees)
80
90
100
110
(hkl)
d ()
G.E./G.I.
2Theta
111
111
220
202
202
113
113
004
331
331
224
224
115
115
333
333
404
404
???
Omega
Phi
Intensity
(hkl)
d ()
G.E./G.I.
2Theta
Omega
Phi
111
111
220
202
202
113
113
004
331
331
224
224
115
115
333
333
404
404
Intensity
Interplanar Angles
Cubic
cos = (h1h2 + k1k2 + l1l2) / sqrt ((h12 + k12 + l12)(h22 + k22 + l22))
(004) and (110)
cos = ((0)(1)+(0)(1)+(4)(0))/ sqrt ((16)(2))
cos = 0
= 90
(hkl)
d ()
G.E./G.I.
2Theta
Omega
111
111
220
202
202
113
113
004
331
331
224
224
115
115
333
333
404
404
Phi
Intensity
Glancing Incidence
Incident
Diffracted
= b -
Glancing Exit
Incident
Diffracted
= b +
Reciprocal Space
An easier way to represent diffraction
geometries, easier to visualize than real
space
Real space
Reciprocal space
Reciprocal Space
Interplanar spacing reciprocal value
Angles preserved
Crystal structure preserved
[001]
(003)
(001)
1 / d002
1 / d001
(002)
(001)
[110]
(110)
What is larger d001 or d002 ?
(000)
Reciprocal Space
[001]
d111
(220)
(111)
[110]
d110
Lab preparation
Si lattice parameter: 5.4309
X-ray wavelength: 1.54056
Single crystal Si wafer surface: (001)
Fill in blanks of the table on the handout.
Available diffraction spot:
h, k, l are all odd.
h, k, l are all even and h+k+l can be divided by 4.
d ()
G.E./G.I.
2Theta
Omega
220
1.92011
90
G.E.
47.302
113.651
202
1.92011
45
G.E.
47.302
68.651
202
1.92011
45
G.I.
47.302
-21.349
1.35773
Symmetric
69.129
34.564
(hkl)
Phi
111
111
113
113
004
331
331
224
224
115
115
333
333
404
404
Arbitrary
Intensity
(hkl)
d ()
G.E./G.I.
2Theta
Omega
Phi
111
3.13553
54.736
G.E.
28.442
68.957
N/A
111
3.13553
54.736
G.I.
28.442
-40.515
N/A
220
1.92011
90.000
G.E.
47.302
113.651
N/A
202
1.92011
45.000
G.E.
47.302
68.651
N/A
202
1.92011
45.000
G.I.
47.302
-21.349
N/A
113
1.63748
25.239
G.E.
56.121
53.300
113
1.63748
25.239
G.I.
56.121
2.821
004
1.35773
Symmetric
69.129
34.564
Arbitrary
331
1.24593
76.737
G.E.
76.375
114.925
N/A
331
1.24593
76.737
G.I.
76.375
-38.550
N/A
224
1.10858
35.264
G.E.
88.028
79.279
224
1.10858
35.264
G.I.
88.028
8.750
115
1.04518
15.793
G.E
94.950
63.268
115
1.04518
15.793
G.I
94.950
31.682
333
1.04518
54.736
G.E.
94.950
102.211
N/A
333
1.04518
54.736
G.I
94.950
-7.260
N/A
404
0.95988
45.000
G.E.
106.706
98.353
45
404
0.95988
45.000
G.I.
106.706
8.353
45
Intensity