Ab-initio study of electronic and magnetic properties of CoIrMnZ (Z= Al, Si, Ga, Ge) Heusler alloys

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

卷:498

Article

Roy, Tufan¹  Tsujikawa, Masahito^1,2  Kanemura, Takuro¹  Shirai, Masafumi^1,2,3 

[1] Tohoku Univ, RIEC, Sendai, Miyagi 9808579, Japan

[2] Tohoku Univ, CSRN, Sendai, Miyagi 9808579, Japan

[3] Tohoku Univ, CSIS, CRC, Sendai, Miyagi 9808577, Japan

关键词: Density functional theory;    Heusler alloys;    Half-metallic;    Density of states;   

DOI  :  10.1016/j.jmmm.2019.166092

来源: Elsevier

【 摘 要 】

Using first principles calculations based on density functional theory, we study electronic and magnetic properties of CoIrMnZ (Z= Al, Si, Ga, Ge) Heusler systems. Based on the electronic structure calculations, CoIrMnSi and CoIrMnGe are predicted to be half-metallic. For the studied systems, the ground state magnetic configurations are found to be ferromagnetic with magnetic moment consistent with the Slater-Pauling rule. The calculated ferromagnetic transition temperatures are much higher than the room temperature for all the cases. The effect of spin orbit coupling has been discussed on the electronic structure for all the systems studied here. Furthermore, we construct junctions with MgO along (001) direction. The MnZ terminations are found to be energetically more favourable compared to the CoIr terminations. After discussing the tunnelling conductance, we find that CoIrMnSi/MgO/CoIrMnSi could be a promising magnetic tunnelling junction (MTJ) candidate.

【 授权许可】

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