Structural, Electronic, Dynamic, and Optical Properties of 2D Monolayer Tungsten Telluride (2H-WTe₂) under Small Biaxial Strain Using Density Functional Theory (DFT and DFT + U)

Table 2

Calculated values for structural parameters of 2H-WTe₂ monolayer.

Methods	Lattice para. (Ǻ)	V0 ()	(Gpa)
GGA	3.565	655.04	50.3	4.32
GGA + U	3.539	641.45	—	—
Others	3.57 [7], 3.59 [8], 3.55 [25, 26]
Experimental	—	—	—	—