| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1864379 | Physics Letters A | 2014 | 6 Pages |
•The effect of biaxial strain on the magnetism of Fe16N2 was investigated.•The magnetic moments increase with the biaxial strain in the ab plane.•All non-equivalent Fe atoms contribute to the increase of magnetic moments.•The magnetic anisotropy of Fe16N2 could be controlled by the biaxial strain.
The effect of biaxial strain on the magnetism of α″α″-Fe16N2 was investigated by the first principles calculations. The GGA, GGA + U and HSE06 calculations give the same result that the magnetic moments increase with the biaxial strain in the ab plane. All non-equivalent Fe atoms contribute to the increase of magnetic moments, although the variations of inter-atomic distances between non-equivalent Fe and N are different. Additionally, the magnetic anisotropy of Fe16N2 could be controlled by the biaxial strain.
