Tension-induced mechanical properties of stanene

Artikel i vetenskaplig tidskrift, 2016

In this paper, elastic properties of stanene under equiaxial or uniaxial tensions along armchair and zigzag directions are investigated by first-principles calculations. The stress strain relation is calculated and the relaxation of the internal atom positions is analyzed. The high-order elastic constants are calculated by fitting the polynomial expressions. The Young's modulus and Poisson ratio of the stanene is calculated to be 24.14 N/m and 0.39 N/m, respectively. The stanene exhibits lower Young's modulus than those of the proceeding group IV elements, which is attributed to the smaller sp(2)-sp(3) bond energy in stanene than those of silicene and germanene. Calculated values of ultimate stresses and strains, second-order elastic constants (SOCEs) and the in-plane Young's modulus are all positive. It proves that stanene is mechanically stable.