Manganese impurities in boron nitride
Abstract
The authors carried an ab initio investigation on the properties of Mn impurities in BN, presenting results on stability, spin states, magnetic moment, hyperfine parameters, and formation and transition energies. Substitutional Mn in the cation site in BN was compared to that in GaN and GaAs. Due to the small BN lattice parameter, the Mn impurity is energetically more favorable in a divacancy site, as compared to the cation site. Although the Mn-divacancy complex has a high spin configuration, with a prevailing Mn d character, the transition energies lie deep in the gap, preventing a hole-mediated ferromagnetism.
- Publication:
-
Applied Physics Letters
- Pub Date:
- August 2006
- DOI:
- 10.1063/1.2266930
- Bibcode:
- 2006ApPhL..89g2102A
- Keywords:
-
- 75.50.Pp;
- 75.30.Hx;
- 75.30.Cr;
- 71.55.Eq;
- 61.72.Ji;
- 61.66.Fn;
- Magnetic semiconductors;
- Magnetic impurity interactions;
- Saturation moments and magnetic susceptibilities;
- III-V semiconductors;
- Point defects and defect clusters;
- Inorganic compounds