| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1609093 | Journal of Alloys and Compounds | 2015 | 4 Pages |
•Na-doped Sr2CrOsO6 is investigated by using the density functional theory.•Both NaSr5Cr3Os3O18 and NaSrCrOsO6 are half metals.•The Curie temperature of NaSr5Cr3Os3O18 and NaSrCrOsO6 is higher than room temperature.
The insulating Sr2CrOsO6 has the highest Curie temperature of 725 K among the double perovskites so far. In this study, by doping with Na, NaSr5Cr3Os3O18 and NaSrCrOsO6 are investigated by using the density functional theory. The calculated results indicated that the hole generated by Na goes to Os 5d t2g orbitals. This makes one of the insulating spin channels in Sr2CrOsO6 to be metallic in the Na-doped compounds. Thus, they become half metals. The estimated magnetic ordering temperature is 579 K for NaSr5Cr3Os3O18 and 615 K for NaSrCrOsO6, which are higher than the room temperature. Therefore, we expect that the Na-doped Sr2CrOsO6 would be promising candidates as spintronic material.
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