Journal
PHYSICAL REVIEW B
Volume 79, Issue 24, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.241201
Keywords
antiferromagnetism; density functional theory; doping profiles; electronic density of states; energy gap; ferrimagnetic materials; gallium compounds; III-V semiconductors; iron; magnetic moments; semiconductor doping; semimagnetic semiconductors; superexchange interactions; wide band gap semiconductors
Funding
- FAPESP
- CNPq
- U. S. Department of Energy [DE-AC36-08GO28308]
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Most dilute magnetic semiconductors exist either in ferromagnetic (e.g., GaAs:Mn) or antiferromagnetic (ZnSe:Mn) phases at low temperature. This alignment persists even after carriers are introduced, although the preference may change as a function of doping. Using first-principles calculations, we found that the stable magnetic phase of GaN:Fe is ferrimagnetic under hole doping, in which the nearest Fe atoms have antiparallel spins with different magnetic moments. This unusual behavior is explained by the Stoner model combined with a band coupling model. Furthermore, the consequences of the formation of the ferrimagnetic phase in diluted magnetic systems are discussed.
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