. 2024 Feb 9;14(8):5234–5247. doi: 10.1039/d3ra08759j

Phonon data of the ML MoX₂ and WX₂ (X = S, Se, and Te) obtained using ab initio calculations. The notation is the same as in Table 1.

	MoS₂	MoSe₂	MoTe₂	WS₂	WSe₂	WTe₂
Polar
ω _ZO₁	463.7	347.9	289.0	432.4	303.7	243.1
	−2.38	−1.9	−1.82	−2.4	−2.2	−2.05
ω _E′	378.1	281.0	233.0	349.4	242.2	194.8
	−2.9	0.34	−0.3	−0.19	−37	1.0
Ξ	1.06	3.5	11.5	0.23	1.3	7.2
	−0.46	0.15	0.52	−0.42	−0.18	0.13

Non-polar
ω _ZO₂	399.3	236.9	170.3	410.7	243.8	176.1
	0.72	−2.5	−2.25	−0.48	21	−3.2
ω _E′′	279.5	164.4	115.8	290.7	170.3	120.0
	4.7	7.45	9.84	4.5	7.2	9.8
	1.37	1.54	1.95	1.6	1.84	2.17

Phonon data of the ML MoX2 and WX2 (X = S, Se, and Te) obtained using ab initio calculations. The notation is the same as in Table 1.