Table 4 |
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|
Calculated Raman Wave Numbers (cm-1) of PrMnO3 along with their Eigen-vector Lengths representing Atomic Displacements for various Atoms |
||||||||
| Modes |
Wave-numbers |
Pr |
Pr |
O1 |
O1 |
O2 |
O2 |
O2 |
|
|
||||||||
| Ag |
491 |
0.04 |
0.26 |
-0.08 |
-0.46 |
0.69 |
-0.43 |
0.21 |
| 462 |
0.05 |
0.16 |
-0.24 |
0.53 |
0.60 |
0.52 |
-0.02 |
|
| 386 |
0.05 |
0.05 |
0.96 |
0.05 |
0.20 |
0.15 |
0.01 |
|
| 324 |
0.12 |
-0.15 |
-0.06 |
-0.66 |
0.09 |
0.54 |
-0.47 |
|
| 232 |
-0.30 |
0.21 |
-0.03 |
-0.27 |
-0.18 |
0.47 |
0.74 |
|
| 206 |
0.91 |
-0.16 |
-0.04 |
-0.01 |
-0.07 |
0.06 |
0.36 |
|
| 64 |
0.24 |
0.90 |
0.00 |
-0.01 |
-0.27 |
0.01 |
-0.25 |
|
| B1g |
607 |
-0.03 |
0.10 |
-0.06 |
0.96 |
-0.05 |
0.09 |
0.24 |
| 496 |
0.33 |
0.05 |
0.78 |
0.06 |
-0.49 |
-0.13 |
-0.10 |
|
| 486 |
0.05 |
0.00 |
0.10 |
-0.08 |
-0.07 |
0.99 |
-0.03 |
|
| 445 |
0.07 |
-0.17 |
0.51 |
0.06 |
0.82 |
0.01 |
0.14 |
|
| 312 |
-0.27 |
0.34 |
0.15 |
-0.25 |
-0.12 |
0.00 |
0.84 |
|
| 114 |
0.28 |
0.90 |
-0.05 |
-0.01 |
0.24 |
0.00 |
-0.23 |
|
| 84 |
0.85 |
-0.18 |
-0.30 |
-0.07 |
0.01 |
-0.01 |
0.38 |
|
| B2g |
627 |
0.01 |
0.90 |
0.13 |
0.37 |
0.20 |
||
| 493 |
0.08 |
-0.20 |
0.95 |
0.20 |
-0.06 |
|||
| 432 |
-0.17 |
-0.27 |
-0.25 |
0.88 |
-0.25 |
|||
| 283 |
0.09 |
-0.28 |
-0.05 |
0.19 |
0.94 |
|||
| 125 |
0.98 |
-0.01 |
-0.12 |
0.11 |
-0.13 |
|||
| B3g |
537 |
0.06 |
0.59 |
0.41 |
0.68 |
-0.08 |
||
| 400 |
0.04 |
-0.23 |
-0.69 |
0.64 |
0.25 |
|||
| 305 |
0.21 |
-0.73 |
0.41 |
0.32 |
-0.40 |
|||
| 239 |
0.28 |
-0.18 |
0.39 |
0.00 |
0.86 |
|||
| 123 |
0.93 |
0.19 |
-0.20 |
-0.14 |
-0.18 |
|||
|
|
||||||||
|
Gupta and Tripathi PMC Physics B 2008 1:9 doi:10.1186/1754-0429-1-9 |
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