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Electronic and magnetic structures of the rare-earth compounds R sub 2 Fe sub 17 N sub. xi

Journal Article · · Physical Review Letters; (United States)
; ; ; ;  [1]
  1. Behlen Laboratory of Physics and Center for Materials Research Analysis, University of Nebraska, Lincoln, Nebraska (USA) University of Missouri Research Reactor, Columbia (Missouri) Department of Physics Astronomy, University of Delaware, Newark, Delaware (USA)
Structural and magnetic properties of the rare-earth compounds {ital R}{sub 2}Fe{sub 17}N{sub {xi}} have been studied with neutron-diffraction measurements and self-consistent spin-polarized electronic-structure calculations. The diffraction results indicate for the Nd compound that N goes into two sites in two or more phases of varying fractional N occupations. For the Y compound N occupies only one site. Electronic-structure calculations for Y{sub 2}Fe{sub 17} and Y{sub 2}Fe{sub 17}N{sub 3} give excellent results for site-dependent Fe moments, and, with spin-fluctuation theory, explain the large change in the Curie temperature on nitrogenation.
DOE Contract Number:
FG02-86ER45262; FG02-90ER45413
OSTI ID:
5470673
Journal Information:
Physical Review Letters; (United States), Journal Name: Physical Review Letters; (United States) Vol. 67:5; ISSN PRLTA; ISSN 0031-9007
Country of Publication:
United States
Language:
English