Research Article

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 1

The calculated effective Hubbard parameter for for 2% biaxial compression strain, unstrained, and 2% biaxial stress–strain.

Structure
W(d) orbitals

2% Biaxial compression strain3.036
Unstrained (equilibrium)3.045
2% Biaxial stress–strain3.053