Fig. 1: Thermodynamic analysis of the phase engineering of ultrathin Te single crystals.
From: Phase-engineered synthesis of atomically thin te single crystals with high on-state currents
a Formation energies of α-Te and β-Te on a WS2 substrate. b Formation energies of α-Te and β-Te in the bulk phase. c The formation energies of α-Te@WS2 and β-Te with respect to the atomic cluster density. The curves are fitted by the function “y = A + B/(x + C)D”, where y is the formation energy, x is the atomic cluster density, and A, B, C, and D are rational numbers. The curve obtained from this fitting closely aligns with the calculated points and serves to better illustrate the intersection point of the formation energies of two different growth modes. d Calculated transition barrier between the α and β phases. The insets are bilayer β-Te and the rectangular supercell of α-Te. The blue points denote calculated energy values. e Formation energies of β-Te along the armchair and zigzag directions on the WS2 substrate. Insets show the formation processes and atomic structures of α-Te and β-Te. Atomic color code: purple, Te; blue, W; yellow, S. The black points in a, b, e denotes calculated formation energy values. f Calculated formation energies for α-Te and β-Te on WS2 and SiO2 substrates, respectively.
