Electronic structures and Curie temperatures of iron-based rare-earth permanent-magnet compounds

The modification of the electonic structures of Sm sub 2 Fe sub 17-x Al sub x N sub y , NdFe sub 11 TiN sub y , and YFe sub 12-x Mo sub x upon alloying and nitriding are examined with self-consistent spin-polarized calculations and soft-x-ray photoemission measurements between 18-135 eV. The changes...

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Bibliographic Details
Published in:Physical review. B, Condensed matter Condensed matter, 1995-01, Vol.51 (2), p.1064-1072
Main Authors: Woods, JP, Patterson, BM, Fernando, AS, Jaswal, SS, Welipitiya, D, Sellmyer, DJ
Format: Article
Language:English
Subjects:
ALLOY SYSTEMS
ALLOYS
ALUMINIUM ALLOYS
CHEMICAL ANALYSIS
CHEMICAL REACTIONS
CURIE POINT
ELECTRONIC STRUCTURE
IRON ALLOYS
IRON BASE ALLOYS
MAGNETS
MATERIALS SCIENCE
MOLYBDENUM ALLOYS
NEODYMIUM ALLOYS
NITRIDATION
NONDESTRUCTIVE ANALYSIS
PERMANENT MAGNETS
PHYSICAL PROPERTIES
QUATERNARY ALLOY SYSTEMS
RARE EARTH ALLOYS
SAMARIUM ALLOYS
THERMODYNAMIC PROPERTIES
TITANIUM ALLOYS
TRANSITION TEMPERATURE 360104 > Metals & Alloys-- Physical Properties
X-RAY EMISSION ANALYSIS
YTTRIUM ALLOYS
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Summary:The modification of the electonic structures of Sm sub 2 Fe sub 17-x Al sub x N sub y , NdFe sub 11 TiN sub y , and YFe sub 12-x Mo sub x upon alloying and nitriding are examined with self-consistent spin-polarized calculations and soft-x-ray photoemission measurements between 18-135 eV. The changes in the Curie temperature T sub c with substitutional modifications and nitrogen addition are modeled with self-consistent spin-polarized electronic structure to T sub c . The calculations show that the spin-summed density of states at the Fermi energy is related to T sub c . The photoemission spectra are dominated by the Fe 3d electrons within 3 eV of the Fermi energy in agreement with calculations. Changes in the density of states at the Fermi energy for interstitial and substitutional modification compare well with calculations. Using photoemission results with experimental magnetic moments for the substitutional modification of the compound Sm sub 2 Fe sub 17-x Al sub x , the spin-fluctuation theory predicts a change in T sub c in agreement with the measured change in T sub c . Spin-resolved photoemission spectra for c-axis oriented Sm sub 2 Fe sub 17 N sub 2.6 with magnetization perpendicular to the surface are presented and compared to theoretical calculations.
ISSN:0163-1829
1095-3795
DOI:10.1103/PhysRevB.51.1064