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Table 2 Calculated zone-centre phonon frequencies of TcS2

From: Lattice Dynamics of the Rhenium and Technetium Dichalcogenides

Index

Frequency (cm −1)

IR Activity

Raman Activity

4

148.14

0.0000

428

5

160.38

0.0000

1016

6

166.40

0.0484

0

7

178.54

0.0000

3964

8

187.93

0.0000

900

9

188.51

0.1416

0

10

250.77

0.3533

0

11

252.28

0.0000

3967

12

258.18

0.3939

0

13

266.53

0.0000

505

14

267.82

1.2843

0

15

277.76

0.0000

806

16

287.93

0.3621

0

17

292.34

0.0000

4655

18

301.69

0.0000

2999

19

306.90

0.1785

0

20

307.26

0.0000

3179

21

312.84

0.0000

2761

22

323.05

1.6289

0

23

328.50

0.0000

1318

24

329.73

4.2948

0

25

343.13

2.9997

0

26

349.84

0.0000

4650

27

362.87

0.1476

0

28

365.12

0.0000

961

29

372.55

0.2031

0

30

375.97

0.0000

5592

31

399.18

0.3195

0

32

411.93

0.0000

6409

33

424.81

0.0000

19,660

35

444.27

0.0000

9908

36

468.57

3.9835

0

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