Title
Understanding the origin of magneto-crystalline anisotropy in pure and Fe/Si substituted SmCo5
Publication Date
11-20-2020
Department
Ames Laboratory
Campus Units
Ames Laboratory
OSTI ID+
1734523
Report Number
IS-J 10376
DOI
10.1016/j.jmmm.2020.167549
Journal Title
Journal of Magnetism and Magnetic Materials
Volume Number
522
First Page
167549
Abstract
We report magneto-crystalline anisotropy of pure and Fe/Si substituted SmCo5. The calculations were performed using the advanced density functional theory (DFT) including onsite electron-electron correlation and spin-orbit coupling. Si substitution substantially reduces both the uniaxial magnetic anisotropy and the magnetic moment. Fe substitution with the selective site, on the other hand, enhances the magnetic moment with a limited chemical stability. The magnetic hardness of the SmCo5 is governed by the Sm 4f localized orbital contribution. The 4f density of states (DOS) becomes flat and split with the substitution of Co (2c) with Si/Fe atoms, except with the Fe substitution at 3 g sites. It is also confirmed that Si substitution favors the thermodynamic stability on contrary to the diminished magnetic and anisotropic effects in SmCo5 at either sites.
DOE Contract Number(s)
AC02-07CH11358
Language
en
Publisher
Iowa State University Digital Repository, Ames IA (United States)
