Title :
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
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;
Conference_Titel :
Magnetics Conference, 2005. INTERMAG Asia 2005. Digests of the IEEE International
Print_ISBN :
0-7803-9009-1
DOI :
10.1109/INTMAG.2005.1464363
