Figure 3 | Scientific Reports

Figure 3

From: Experimental observations and density functional simulations on the structural transition behavior of a two-dimensional transition-metal dichalcogenide

Figure 3

Phonon dispersion of TaS2. (a) Schematic of E12g, E1g, E22g, and A1g Raman active modes of bulk 2H-TaS2. (b) Phonon dispersion of bulk 2H-TaS2 as a function of electronic smearing parameter σ. (c) Phonon dispersion of bulk and monolayer 2H-TaS2 with a smearing parameter σ = 0.03 eV. (d) Phonon dispersion of monolayer 2H-TaS2 with a 3 × 3 × 1 unit cell.

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