We calculated the magnetic anisotropy constant Ku of MnBi using a first principles approach, and obtained a negative Ku in agreeable with experimental results. Furthermore, we also found a band filling dependence indicating that a slight decrease in the valence electron number will change Ku from negative to positive. When some of the Bi is replaced with Sn to decrease the valence electron number, the Ku value of MnBi 1-xSnx drastically changes to a positive value, Ku ̃ 2 MJ/m3, for x > 0.05.
- First principles calculation
- Magnetocrystalline anisotropy energy
- Permanent magnets
ASJC Scopus subject areas
- Physics and Astronomy(all)