Jaewoo Jeong, Yari Ferrante, et al.
Nature Communications
In the present work we developed an orbital coupling model for cubic full Heusler compounds that provides a unified set of rules that account for the chemical ordering, magnetic moment, and composition of the most promising candidates for half-metallicity. The origin and limitations of the rules are clearly described. To the best of our knowledge all of the several dozen half-metallic Heusler compounds known in the literature that follow the Mt=Nt-24 or Mt=Nt-28 generalized Slater-Pauling behavior satisfy the derived half-metallicity rule. Calculations performed by using density functional theory - performed for 259 compounds - confirm the validity of our model and derived rules for broad classes of Heusler compounds.
Jaewoo Jeong, Yari Ferrante, et al.
Nature Communications
Koen Martens, Jaewoo Jeong, et al.
Physical Review Letters
A.X. Gray, Matthias C. Hoffmann, et al.
Physical Review B
Panagiotis Ch Filippou, Jaewoo Jeong, et al.
Nature Communications