Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1809923 | Physica B: Condensed Matter | 2013 | 4 Pages |
Abstract
First-principles calculations based on spin density functional theory are performed to study the effects of H on the structural, electronic and magnetic properties of the Mn-doped GaN dilute magnetic semiconductors. Our results show that the interstitial H atom prefers to bond with N atom rather than Mn atom, which means that H favors to form the N–H complex rather than Mn–H complex in the Mn-doped GaN. After introducing one H atom in the system, the total magnetic moment of the Mn-doped GaN increases by 25%, from 4.0μB to 5.0μB. The physics mechanism of the increase of magnetic moment after hydrogenation in Mn-doped GaN is discussed.
Related Topics
Physical Sciences and Engineering
Physics and Astronomy
Condensed Matter Physics
Authors
M.S. Wu, B. Xu, G. Liu, X.L. Lei, C.Y. Ouyang,