| Popis: |
Herein, we have predicted the electronic and magnetic properties and magnetocrystalline anisotropy (MCA) of the most stabilized antiferromagnetic (AFM) ground state of bulk chalcopyrite (CuFeS$_{2}$) and films with various different thicknesses. We have shown that the easy axis of bulk structure is along the [001] direction and it agrees with the results of neutron measurements. For the CuFeS$_{2}$ film, our results have indicated that the ground state of ultra-thin film is ferromagnetic (FM) and the easy axis of ultra-thin film is in-plane. As increased the thickness of the film, its ground state becomes the AFM, and the easy axis is changed as out-plane. It may be a natural candidate material for integrating spintronics. |
