Mechanical Properties of Two-Dimensional Metal Nitrides: Numerical Simulation Study

It is expected that two-dimensional (2D) metal nitrides (MNs) consisting of the 13th group elements of the periodic table and nitrogen, namely aluminium nitride (AlN), gallium nitride (GaN), indium nitride (InN) and thallium nitride (TlN), have enhanced physical and mechanical properties due to the honeycomb, graphene-like atomic arrangement characteristic of these compounds. The basis for the correct design and improved performance of nanodevices and complex structures based on 2D MNs from the 13th group is an understanding of the mechanical response of their components. In this context, a comparative study to determine the elastic properties of metal nitride nanosheets was carried out making use of the nanoscale continuum modelling (or molecular structural mechanics) method. The differences in the elastic properties (surface shear and Young’s moduli and Poisson’s ratio) found for the 2D 13th group MNs are attributed to the bond length of the respective hexagonal lattice of their diatomic nanostructure. The outcomes obtained contribute to a benchmark in the evaluation of the mechanical properties of AlN, GaN, InN and TlN monolayers using analytical and numerical approaches.