First-principles calculations of magnetic properties of Zr doped rare earth-transition metal (1:7) alloys

Author

Oka, K. ; Kiyomiya, T.

Author_Institution

FDK Corp., Washizu, Japan

fYear

2005

fDate

4-8 April 2005

Firstpage

1859

Lastpage

1860

Abstract

Magnetic properties of R-Fe-(Zr) with 1:7 stoichiometry were studied using first-principles calculations. The most stable structure in terms of cohesive energy was examined. The role of the additive Zr was also elucidated. Total and partial density of states, local spin moments and exchange energies of the samples were also obtained to show the phase separation and the stability of a particular crystal structure.

Keywords

ab initio calculations; binding energy; crystal structure; electronic density of states; ferromagnetic materials; iron alloys; local moments; phase separation; stoichiometry; yttrium alloys; zirconium alloys; Y₂Fe₁₇; Y₅Zr₂Fe₄₉; Y₆ZrFe₄₉; YFe₇; cohesive energy; crystal structure; exchange energies; first-principles calculations; local spin moments; magnetic properties; partial density of states; phase separation; rare earth-transition metal alloys; stoichiometry; Alloying; Iron; Magnetic materials; Magnetic moments; Magnetic properties; Magnets; Metastasis; Orbital calculations; Saturation magnetization; Zirconium;

fLanguage

English

Publisher

ieee

Conference_Titel

Magnetics Conference, 2005. INTERMAG Asia 2005. Digests of the IEEE International

Print_ISBN

0-7803-9009-1

Type

conf

DOI

10.1109/INTMAG.2005.1464363

Filename

1464363