424
22 Layered Structures
Table 22.1
Quantitative information derived from reproducing the (n,
ε, T, P) dependent Raman shift of the layered BP, GNR, and MX
2 [32, 90, 96, 100]
Stimuli
Quantity
Graphene
BP
MoS
2
WS
2
MoSe
2
WSe
2
n
ω(1) (cm −1
)
⎧
⎪
⎪
⎨
⎪
⎪
⎩
1276.8
(D)
2562.6
(2D)
1566.7
(G)
⎧
⎪
⎪
⎨
⎪
⎪
⎩
360.20
(A 1g
)
435.00
(B 2g
)
462.30
(A 2g
)
399.65 (A
1g )
377.03 (E 1
2g )
416.61 (A
1g )
352.26 (E 1
2g )
237.65 (A
1g )
265.12 (E 1
2g )
254.84 (A
1g )
246.42 (E 1
2g )
Bond nature index m
2.56
4.60
4.68
2.42
2.11
1.72
Bond
length
(nm)
Monolayer
0.125
0.224/0.223
[146]
0.249/0.241
[147]
0.243/0.242
[147]
0.250/0.254
[147]
0.264/0.255
[147]
Bulk
0.154
(Diamond)
0.255
0.284
0.276
0.286
0.301
Bond
energy
(eV)
Monolayer
1.04
0.527
0.338
0.538
0.575
0.613
Bulk
0.615 [148]
(Diamond)
0.286 [148]
0.181
0.390
0.435
0.487
ε
Force constant
κ (Nm −1
)
6.28
–
2.56
–
–
–
T
Debye
θ D (K)
540
466/400 [149]
250
530
193
170
Atomic E
coh (eV/atom)
3.11
2.11
1.35
2.15
2.30
2.45
Thermal expansion
α(10 −6
K −1
)
9.00
22.0 [150]
1.90/8.65
10.10/7.24/12.9
6.80/10.6
(α
a /α
c )
P
Energy density E
den
(eV/nm 3
)
320
9.46
21.9
29.6
–
–
β/β
(10 −3
GPa −1
/GPa −2
)
1.15/0.0763
0.32/2.20 [151]
13.30/0.96
25.60/0.88
–
–
B
0 /B
0 (GPa/-)
690/5 (704/1)
[152]
84.10/4.69 [153] 47.7/10.6
63.00/6.50
[110, 154]
–
–