Electronic structure of Nd[sub 2]Fe[sub 17]N
Journal Article
·
· Journal of Applied Physics; (United States)
- Institute of Semiconductors, Academia Sinica, Beijing (China)
- Institute of Physics, Academia Sinica, Beijing (China)
- Institute of Semiconductors, Academia Sinica, Beijing (China) Department of Physics, University of Missouri-Kansas City, Kansas City, Missouri 64110 (United States)
- Department of Physics, University of Missouri-Kansas City, Kansas City, Missouri 64110 (United States)
The electronic structures of ternary compound Nd[sub 2]Fe[sub 17]N with N atoms on 9[ital e], 3[ital b], and 18[ital g] sites are calculated and compared. The local moments on different Fe sites are in good agreement with experiments. The mechanism of increasing Curie temperature by [ital N] doping is checked by additional calculations with lattice expansion. The results show that the change in interatomic interaction is more important than the lattice expansion effect.
- DOE Contract Number:
- FG02-84ER45170
- OSTI ID:
- 6891792
- Journal Information:
- Journal of Applied Physics; (United States), Journal Name: Journal of Applied Physics; (United States) Vol. 73:10; ISSN JAPIAU; ISSN 0021-8979
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
CALCULATION METHODS
CRYSTAL STRUCTURE
CURIE POINT
ELECTRONIC STRUCTURE
IRON COMPOUNDS
IRON NITRIDES
LCAO METHOD
MAGNETIC MOMENTS
NEODYMIUM COMPOUNDS
NEODYMIUM NITRIDES
NITRIDES
NITROGEN COMPOUNDS
PHYSICAL PROPERTIES
PNICTIDES
RARE EARTH COMPOUNDS
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT COMPOUNDS
TRANSITION TEMPERATURE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
CALCULATION METHODS
CRYSTAL STRUCTURE
CURIE POINT
ELECTRONIC STRUCTURE
IRON COMPOUNDS
IRON NITRIDES
LCAO METHOD
MAGNETIC MOMENTS
NEODYMIUM COMPOUNDS
NEODYMIUM NITRIDES
NITRIDES
NITROGEN COMPOUNDS
PHYSICAL PROPERTIES
PNICTIDES
RARE EARTH COMPOUNDS
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT COMPOUNDS
TRANSITION TEMPERATURE