Electronic and mechanical properties of predicted tin nitride stoichiometric compounds under high pressure

High pressure has the capacity to produce potential novel structures with exciting physical and chemical properties. Nitrides find diverse usages in industry and captivate much attention in research. We have explored Sn-N system under pressure range 0-300 GPa with an objective to construct the complete phase diagram of Sn-N system. We have revealed two thermodynamically stable compounds; SnN2-Pa-3 and SnN4-P-1. The SnN2-Pa-3 has a wide indirect band gap 4.2 eV and transformed to a tetragonal structure SnN2-I4/mcm at 100.5 GPa. We have also calculated the mechanical properties of the predicted compounds and expect these results are significant to understand the Sn-N system under high pressure.