Electronic structure and magnetic anisotropy of Sm2Fe17Nx
DPG Spring Meeting of the Condensed Matter Section （DPG-Frühjahrstagung）
Masako Ogura ( Ludwig-Maximilians-University Munich, Osaka University )
Hisazumi Akai ( TheUniversity of Tokyo) )
概要/Abstract
Electronic structure and magnetic properties of Sm2Fe17Nx are stud-ied on the basis of the rst-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 func-tion 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 a ects the magnetic anisotropy.
In the present study, the magnetic properties of the system as a func-tion 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 a ects the magnetic anisotropy.
