Magnetic and Mechanical Properties of Deformed Iron Nitride γ′ -Fe4N

The present study is aimed at magnetic and mechanical properties of iron nitride (γ′-fe4n) with elastic deformation. electronic structure and thermal properties of the iron nitride are also studied to have a comprehensive understanding of the characteristics of γ′-fe4n. this study is focused on the variation of the magnetic and the mechanical properties of iron nitride with a change in crystal size represented by lattice constant. as the lattice constant is altered with deformation,magnetic moment of fe-ii atoms is appreciably elevated,while that of fe-i atoms is nearly unchanged. dependence of the magnetic moment and the bulk modulus on the lattice constant is examined. meanwhile,chemical bonds between fe atoms and n atoms formed across the crystal have been visualized by delocalization of atomic charge density in electron density map,and thermodynamic properties,including entropy,enthalpy,free energy,and heat capacity,are evaluated. © 2015 chin-hsiang cheng et al.