We have synthesized MnSnAs2 single crystals using the vertical temperature gradient solidification method. The crystal structure of MnSnAs 2 is chalcopyrites, which are "genealogically" related to the more familiar tetrahedrally-coordinated zinc-blende materials, with lattice constants of c = 5.794 Å, c = 11.365 A. Using the experimentally determined lattice constants and crystal structure, we carried out first principles electronic structure calculations, using the full-potential linearized augmented plane wave (FLAPW) method in the local density approximation (LDA). The lowest total energies were observed for the AFM state, indicating that APM ordering in the system is energetically favored at 0 K. We find that MnSnAs2 is metallic in the electronic calculation. Interestingly, MnSnAs2 exhibited ferromagnetism with TC = 328 K.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Condensed Matter Physics