Half‐Metallic Full‐Heusler and Half‐Heusler Compounds with Perpendicular Magnetic Anisotropy

Herein, a mechanism is proposed as to how thin films formed from Heusler compound can simultaneously have both perpendicular magnetic anisotropy (PMA) and be half‐metallic. It that film half‐metallic full‐Heusler or half‐Heusler cubic in the bulk undergo tetragonal distortion by adopting lattice constant of underlayer material during deposition process. The value this tuned using materials with different in‐plane constants. thereby optimized so it large enough give rise sufficient PMA, while, simultaneously, small retain properties (and, therefore, high tunneling magnetoresistance properties) compound. Density functional theory (DFT) calculations are carried out for 90 full‐Heuslers 147 half‐Heuslers been identified literature half‐metals show these, 14 59 compounds display half‐metallicity PMA optimal distortions.