[12a-N324-1~9] 10.5 Application of magnetic field

[12a-N324-5] Electronic structure of ferromagnetic shape memory alloy Ni₂MnGa by QSGW calculation

〇Masao Obata¹, Takao Kotani², Tatsuki Oda¹ (1.Kanazawa Univ., 2.Tottori Univ.)

Keywords:Ni2MnGa, Ferromagnetic shape-memory alloy, Electronic structure calculation

The Heusler-type ferromagnetic shape-memory alloy Ni₂MnGa has been attracting attention as a functional material. The accurate evaluation of its electronic structure is the key to understand its shape memory and magnetic distortion effects under external magnetic fields. Quasiparticle self-consistent GW calculations have been carried out to evaluate the electronic structure of the austenite and martensite phases of Ni₂MnGa. The results strongly suggest the occurrence of the Jahn-Teller effect due to the occupied minority spin orbitals of Ni.