[17p-D704-1~16] 10.1 新物質・新機能創成（作製・評価技術）

▲ [17p-D704-6] Electronic Structures of ferromagnetic Heusler Alloys Ni₂MnX (Al, Ga, In) and Magnetic shape memory effect

〇(D)Jakub Lustinec^1,2、Masao Obata¹、Ko Hyodo¹、Takao Kotani³、Ladislav Kalvoda²、Tatsuki Oda¹ (1.Kanazawa Univ.、2.Czech Tech. Univ.、3.Tottori Univ.)

キーワード：heusler alloys, Magnetic shape memory

Modulated martensitic phases in a ferromagnetic Heusler alloy Ni₂MnGa are crucial for the Magnetic shape memory (MSM) effect observed in this compound. A comparative study was performed to investigatigate ferromagnetic Heusler alloys Ni₂MnX (X = Al, Ga, In) using the quasi-particle self-consistent GW (QSGW) method which improves the description of electron correlation, density functional theory (DFT) and DFT with Hubbard U correction. We will present results of the generalized susceptibility for their cubic (Austenite) system calculated by QSGW that, as a first time of theoretical approach, shows an intrinsic instability to the modulated phases of 10M or 14M. Also, we will discuss properties of the electronic structure and compare the results with both those of density functional approaches and experimental results.