Dresden 2014 – wissenschaftliches Programm

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MA: Fachverband Magnetismus

MA 51: Electron Theory of Magnetism

MA 51.8: Vortrag

Freitag, 4. April 2014, 11:15–11:30, HSZ 401

Electronic structure and magnetic anisotropy of Sm₂Fe₁₇N_x — •Masako Ogura^1,2 and Hisazumi Akai³ — ¹Ludwig-Maximilians-University Munich, Munich, Germany — ²Osaka University, Toyonaka, Japan — ³University of Tokyo, Kashiwa, Japan

Electronic structure and magnetic properties of Sm₂Fe₁₇N_x are studied on the basis of the first-principles electronic structure calculation in the framework of the density functional theory. It is experimentally known that the magnetism of Sm₂Fe₁₇ is enhanced when N is added. In the present study, the magnetic properties of the system as a function of the N concentration are discussed. Although the main origin of the enhancement of the magnetism is the volume enhancement due to the addition of N, the hybridization between the Fe 3d states and the N 2p states also plays an important roll. In addition, the electron transfer between Sm and N affects the magnetic anisotropy.