| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1594696 | Solid State Communications | 2010 | 5 Pages |
Abstract
The electronic structures and magnetic properties in Carbon-doped CeO2 have been investigated by means of first-principles calculations based on the LSDA+U scheme. The results demonstrate a magnetic moment of 2.00 μB per supercell with one Carbon dopant which mainly stems from Hund’s rule coupling based on rather localized 2p, 5d and 4f states. The hole-mediated long-range magnetic coupling between local magnetic moments can be attributed to the collective effects of the p–p, p–d, and p–f hybridizations between C and neighboring O or Ce atoms. Ferromagnetism and half-metallic characteristics of C-doped CeO2 make it possible to be an ideal material for spintronic devices.
Related Topics
Physical Sciences and Engineering
Materials Science
Materials Science (General)
Authors
Wen-Zhi Xiao, Ling-Ling Wang, Liang Xu, Qing Wan, An-Lian Pan,