[17p-501-1~7] 10.1 Emerging materials in spintronics and magnetics (including fabrication and charactrization methodologies)

[17p-501-5] First-Principles calculations on tetragonally distortion in Heusler compounds:Towards large magnetocrystalline anisotropy

〇Yuichiro Matsushita^1,2, Madjarova G.^3,2, Dewhurst J.K.², Sahllcross S.⁴, Felser C.², Sharma S.², Gross E.K.U.² (1.The University of Tokyo, 2.Max-Planck institute, 3.Sofia Univ., 4.Univ. of Theoretische Solid state physics)

Keywords:Huesler compounds, tetragonally distortion, magnetocrystalline anisotropy

With a view to the design of hard magnets without rare earths we explore the possibility of
large magnetocrystalline anisotropy energies in Heusler compounds that are unstable with respect to a tetragonal distortion, based on the ab-initio calculations. In this study, we have clarified the microscopic mechanisms of the tetragonal distortion. Furthermore, following the mechanisms, it has been demonstrated that we can control the tetragonal distortion by electron- or hole-doing and successfully increase the magnetocrystalline anisotropy energy.