OICC Press Journal of Theoretical and Applied Physics 2251-7235 7 1 2023 11 17 Mechanical properties of CaN, SrN, and BaN compounds by density functional theory 10.1186/2251-7235-7-16 EN OICC Press Authors Various OICC Press Authors Journal Article 2023 11 17 AbstractUsing density functional theory, a systematic study of the elastic properties of CaN, SrN, and BaN compounds is performed. As a result, the optimized lattice parameters and independent elastic constants are calculated within the generalized gradient approximation. We have also derived bulk and shear moduli, Young’s moduli, Poisson’s ratio, and brittle/ductile behavior for CaN, SrN, and BaN. The estimated anisotropy parameter, A, shows that SrN has higher degree of elastic isotropy in comparison to CaN and BaN.