Ferromagnetism in Mn-doped GaN: From Clusters to Crystals

Abstract

The magnetic coupling between doped Mn atoms in clusters as well as crystals of GaN has been studied from first principles using molecular orbital theory for clusters and linearized muffin tin orbitals-tight binding formulation (LMTO-TB) for crystals. The calculations, based on density functional theory and generalized gradient approximation for exchange and correlation, reveal the coupling to be ferromagnetic with a magnetic moment ranging from 2.0 to 4.0 Bohr magnetons per Mn atom depending on its environment. Mn atoms also tend to cluster and bind more strongly to N atoms than to Ga atoms. The significant binding of Mn to GaN clusters further indicates that it may be possible to increase the Mn concentration in GaN by using a porous substrate that offers substantial interior surface sites.

16 pages, 2 figures

References in corpus (2)

• Ferromagnetism in magnetically doped III-V semiconductors
• Giant Magnetic Moments of Nitrogen Stabilized Mn Clusters and Their Relevance to Ferromagnetism in Mn Doped GaN

Cited by in corpus (7)

• Spinodal nanodecomposition in magnetically doped semiconductors
• Aggregation and magnetism of Cr, Mn, and Fe cations in GaN
• Cr doped III-V nitrides: potential candidates for spintronics
• Origin of transition metal clustering tendencies in GaAs based dilute magnetic semiconductors
• Jahn-Teller Distortion and Ferromagnetism in the Dilute Magnetic Semiconductors GaN:Mn
• Electronic structure and Jahn-Teller effect in GaN:Mn and ZnS:Cr
• Electronic structure of Diluted Magnetic Semiconductors $G{a}_{1-x}M{n}_{x}N$ and $G{a}_{1-x}C{r}_{x}N$