Electronic structure and magnetic moments of Y/sub 2/Fe/sub 14/B

Journal Article · Wed Jan 01 04:00:00 EST 1986 · Appl. Phys. Commun.; (United States)

OSTI ID:6615683

Gu, Z Q; Ching, W Y

The outstanding permanent magnetic properties of the newly discovered rare-earth, iron, boron have attract a great deal of attention. The authors report the first detailed electronic structure and magnetic moment calculation of the tetragonal crystal: Y/sub 2/Fe/sub 14/B. Spin-polarized first-principles calculation was performed using the orbital-charge-self consistent OLCAO method. The site-decomposed local density of states of different Fe atoms are very much different indicating a substantial degree of local environmental effect within the Fe sublattice. The calculated total magnetic moment of 31.4 ..mu../sub ..beta../ is in good agreement, with experimental measurement. The magnetic moment at each Fe site shows a consistent correlation with the calculated effective charge of each Fe atom. The density of states at the Fermi level for Y/sub 2/Fe/sub 14/B is quite low in comparison with the bulk Fe metal and this may accounts for the relative low curie temperature of Y/sub 2/Fe/sub 14/B.

• Research Organization: Univ. of Missouri, Kansas City
• OSTI ID: 6615683
• Report Number(s): CONF-8511278-
• Journal Information: Appl. Phys. Commun.; (United States), Journal Name: Appl. Phys. Commun.; (United States) Vol. 6:1; ISSN APCOD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
BORIDES
BORON COMPOUNDS
COMPLEXES
CURIE POINT
ELECTRONIC STRUCTURE
IRON COMPOUNDS
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
PHYSICAL PROPERTIES
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT COMPLEXES
TRANSITION ELEMENT COMPOUNDS
TRANSITION TEMPERATURE
YTTRIUM COMPLEXES