Theoretical Investigation of Magnetic Properties of MnBi By DFT+U Method Using elk Software

A half metallic -ferromagnet MnBi exhibits metallic behavior in one spin direction while the other spin direction shows semiconducting behavior. This unique property makes MnBi a promising material for spintronic devices. Besides this absence of rare-earth elements in compositions, the large magneto crystalline anisotropy, high-temperature reasonable magnetization, the positive temperature coefficient of coercivity and the moderate Curie temperature make MnBi magnets very potential for high-temperature magnet application. In addition, it has good magneto-optical properties with potential applications in erasable magneto-optical memory devices. In this work we investigated magnetic properties of MnBi by DFT+U method using elk software. We have got magnetic moment 6.54 μ b -at 315 K which is high enough from experimental value 3.60 μ b .