@article{Mechanical properties of CaN, SrN, and BaN compounds by density functional theory_2023, volume={7}, url={https://oiccpress.com/journal-of-theoretical-and-applied-physics/article/mechanical-properties-of-can-srn-and-ban-compounds-by-density-functional-theory/}, DOI={10.1186/2251-7235-7-16}, abstractNote={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.}, number={1}, journal={Journal of Theoretical and Applied Physics}, publisher={OICC Press}, year={2023}, month={Nov.}, keywords={Density functional theory, Elastic properties, First principles calculations} }