The First-principles Studies On The Elastic And Magnetic Properties Of The Two-dimensional CrN

In recent years, two dimensional materials have received extensive attention.With the rapid development of science and technology,The demand for integration and miniaturization of materials in the advanced science and technology field is becoming more and more high,Two dimensional materials are more competitive than three-dimensional materials, Two dimensional materials are expected to be the ideal materials for new nano electronic devices.But the pure two-dimensional materials, including Graphene, single layer BN, transition metal sulfides are mostly not magnetic or weak magnetic. So, theoretical research on pure 2D magnetic materials, especially in spintronics research, in practice will has a very good role in guiding.The elastic, electronic and magnetic properties of the monolayer CrN are calculated using the plane wave pseudopotential method based on first-principle density function theory. The Spin-polarized electronic band structure was also calculated in different plane symmetry strains. By calculating we obtain that:(1) The structure of the 2D CrN nanosheet is stable, its layer modulus γ0= 330.2Nm-1, Showing that its resistance of strain stronger than Graphene.(2) Two dimensional equation of state is also applicable to 2D CrN structure type materials.(3) The plane strain can effectively adjust its metal and magnetic properties. The monolayer CrN have semi-metallic properties and have strong ferromagnetic properties. The ferromagnetic effect can enhance the stability of the material.(4) The results show that:The 2D CrN is a semi-metallic material with good elastic properties, and has a strong ferromagnetic property, it is expected to have good application in the field of spin electronics.