Magnetic properties and origin of the half-metallicity of Ti(2)MnZ (Z=Al, Ga, In, Si, Ge, Sn) Heusler alloys with the Hg2CuTi-type structure

作者：Fang, Qing-Long; Zhang, Jian-Min^*; Xu, Ke-Wei

来源：Journal of Magnetism and Magnetic Materials, 2014, 349: 104-108.

DOI：10.1016/j.jmmm.2013.08.030

• Heusler alloy
• Half-metallic
• Magnetic properties
• First-principles

Using the first-principles calculations within density functional theory, we investigate the magnetic properties and electronic structures of the Ti(2)MnZ (Z=Al, Ga, In, Si, Ge, Sn) alloys with the Hg2CuTi-type structure. The Ti(2)MnZ (Z=Al, Ga, In, Si, Ge, Sn) are found to be half-metallic ferrimagnets. The total magnetic moments (mu(t)) of the Ti(2)MnZ alloys are calculated to be 0 for Z=Al, Ga, In and 1 for Z=Si, Ge, Sn, linearly scaled with the total number of valence electrons (Z(t)) by mu(r)=Z(r)-18. The origin of the band gap for these half-metallic alloys is well understood. We expect our results to trigger further experimental interest in these alloys.

• 出版日期2014-1
• 单位陕西师范大学; 西安交通大学