Van Hove Singularity and Phase Instability: Exploring the Role of Electron Correlation in the Magnetic Behavior of ${\mathrm{Fe}}_{16}{\mathrm{N}}_2$

Peter Stoeckl, Przemyslaw Wojciech Swatek, Jian-Ping Wang

The ordered iron nitride phase $\hat{I}{\pm }^{\prime \prime }-{\mathrm{Fe}}_{16}{\mathrm{N}}_2$ is a promising candidate for environment-friendly, rare-earth-free permanent magnets due to its demonstrated gian…