322
16 VLEED Capability and Sensitivity
Table 16.2
Correlation between the bond-geometry and atomic-shift in the pairing Cu
3 O
2 tetrahedron on the Cu(001)-O surface [3]
Labels Fig. 16.4
Bond-geometry (in Å and °)
Atomic-dislocation (Å)
BA12
DCu
x
D
Q
2
D
12
DO
x
DO
z
DCu
x
DCu
z
(a)-C
101.0
0.25
D
av
0.04
1.9086
−0.1852
0.1442
0.25
−0.1635
*a
102.0
0.25
1.9343
−0.1877
0.1682
−0.1495
*b
101.5
0.225
1.9251
−0.1863
0.1553
0.225
−0.1375
(a)-B
104.5
0.25
1.9968
−0.1956
0.2316
−0.1156
(a)-A
107.0
0.25
2.0567
−0.2055
0.2926
−0.0834
(b)-A
102.0
0.25
D
av
0.03
1.9545
−0.1879
0.1699
0.25
−0.1385
(b)-B
0.05
1.9141
−0.1876
0.1666
−0.1605
(b)-C
0.08
1.8531
−0.1870
0.1614
−0.1939
(c)-A
102.0
0.15
D
av
0.04
1.9343
−0.1877
0.1682
0.15
−0.0709
(c)-B
0.30
0.30
−0.1859
(c)-C
0.40
0.40
−0.2535
(d)-A
102.0
0.25
D
1
0.04
1.9343
−0.1877
0.1682
0.25
−0.0920
(d)-B
D
2
−0.2046
*a and *b indicate optimal parameters for the reference (broken lines) spectra in Figs. 16.5 and 16.6