Highly Tunable Negative Poisson’s Ratio in Two-Dimensional Penta-SiCN

In this work, we utilize first-principles Density Functional Theory (DFT) calculations to predict the structural, and mechanical stability, and properties of new ternary penta-SiCN. Penta-SiCN is found to be a highly auxetic material exhibiting negative Poisson’s ratio and Young’s modulus value of –0.136, and 131.29 N/m, respectively. In addition, mechanical parameters are highly tunable, super-elastic, and isotropic against the biaxial strain, making penta-SiCN a premium material in nanoauxetic and nanomechanics applications.