We found a match
Your institution may have access to this item. Find your institution then sign in to continue.
- Title
Electronic structure and magnetic ordering in gadolinium-doped AlGaN from LSDA+U calculations.
- Authors
Belhachi, S.; Amari, S.; Bouhafs, B.
- Abstract
We present first-principles calculations of the structural, electronic and magnetic properties of Gd-doped Al 0. 2 5 Ga 0. 7 5 N based on the density functional theory within LSDA + U schemes. It is found that Gd atom favors substituting for Al site. Compared with undoped Al 0. 2 5 Ga 0. 7 5 N , the Gd-doped Al 0. 2 5 Ga 0. 7 5 N has become an indirect band gap semiconductor of reduced band gap. The magnetic moment 7. 1 5 μ B per molecule mainly comes from Gd ion with little contribution from the Ga, Al and N atoms. It is confirmed that the ferromagnetic configuration is stable for Al 0. 1 8 7 5 Gd 0. 0 6 2 5 Ga 0. 7 5 N. It is found also that there is hybridization between the forbital of the Gd atom and the p orbital of the N atom.
- Subjects
ELECTRONIC structure; MAGNETIC properties; ENERGY-band theory of solids; GADOLINIUM; DENSITY functional theory; FERROMAGNETIC materials
- Publication
International Journal of Computational Materials Science & Engineering, 2018, Vol 7, Issue 3, pN.PAG
- ISSN
2047-6841
- Publication type
Article
- DOI
10.1142/S2047684118500197