Robustness and stability of half-metallic ferromagnetism in alkaline-earth  metal mononitrides against doping and deformation

Ozdogam, K.; Sasioglu, E.; Galanakis, I.

doi:10.1063/1.4728216

Journal Article

Robustness and stability of half-metallic ferromagnetism in alkaline-earth metal mononitrides against doping and deformation

Ozdogam, K. ; Sasioglu, E.FZJ* ; Galanakis, I.

2012
American Institute of Physics Melville, NY

Journal of applied physics 111, 113918 (2012) [10.1063/1.4728216]

This record in other databases:

Please use a persistent id in citations: http://hdl.handle.net/2128/7497 doi:10.1063/1.4728216

Abstract: We employ ab-initio electronic structure calculations and study the magnetic properties of CaN and SrN compounds crystallizing in the rocksalt structure. These alkaline-earth metal mononitrides are found to be half-metallic with a total spin magnetic moment per formula unit of 1.0 mu(B). The Curie temperature is estimated to be 480 K for CaN and 415 K for SrN well-above the room temperature. Upon small degrees of doping with holes or electrons, the rigid-band model suggests that the magnetic properties are little affected. Finally, we studied for these alloys the effect of deformation taking into account tetragonalization keeping constant the unit cell volume which models the growth on various substrates. Even large degrees of deformation only marginally affect the electronic and magnetic properties of CaN and SrN in the rocksalt structure. Finally, we show that this stands also for the zincblende structure. Our results suggest that alkaline-earth metal mononitrides are promising materials for magnetoelectronic applications. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4728216]

Keyword(s): J

Classification: