Ortho-atomic projector assisted DFT+U study of room temperature Ferro- and antiferromagnetic Mn-doped TiO2 diluted magnetic semiconductor
Using ortho-atomic Hubbard-corrected density functional theory, we present magnetic properties, ferromagnetic transition temperature T _c , Neel temperature T _N , electronic structure, structural formation energy, and crystal structure of anatase (Ti _16− _x Mn _x O _32 for x = 1, 2, 3, 4 and 6). A...
| Main Authors: | , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2022-01-01
|
| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/ac8149 |