Electronic structure and magnetic properties of Fe-rich ternary compounds: YFe sub 10 V sub 2 and YFe sub 10 Cr sub 2
- Behlen Laboratory of Physics, University of Nebraska, Lincoln, NE (USA) Center for Materials Research and Analysis, University of Nebraska, Lincoln, Nebraska 68588 (USA)
These compounds are prototypes of the Fe-rich ternary systems of ThMn{sub 12} structure which are of considerable current interest as permanent magnet materials. The electronic structure of YFe{sub 10}V{sub 2} and YFe{sub 10}Cr{sub 2} have been studied with photoemission and spin-polarized calculations. The Fe {ital d} states dominate the calculated density of states (DOS) near the Fermi energy and there is a good correspondence between the DOS and the experimental spectra. The calculated magnetization is in very good agreement with the experimental data. The calculations give a magnetic moment of {similar to}1 {mu}{sub {ital B}} at the V or Cr site antiferromagnetically coupled to the Fe moments. This leads to a significant reduction in the average moment per Fe atom in these systems. The charge transfers are, in general, small and are mostly from V or Cr to Y atoms. These charges are used to show that the point-charge model alone cannot explain the crystal-field data.
- DOE Contract Number:
- FG02-86ER45262
- OSTI ID:
- 6906445
- Journal Information:
- Journal of Applied Physics; (USA), Journal Name: Journal of Applied Physics; (USA) Journal Issue: 9 Vol. 67:9; ISSN 0021-8979; ISSN JAPIA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
360104* -- Metals & Alloys-- Physical Properties
ALLOY SYSTEMS
ALLOYS
BAND THEORY
CHROMIUM ALLOYS
D STATES
ELECTRONIC STRUCTURE
EMISSION
ENERGY LEVELS
ENERGY RANGE
ENERGY-LEVEL DENSITY
FERMI LEVEL
IRON ALLOYS
MAGNETIC PROPERTIES
MAGNETIZATION
MUFFIN-TIN POTENTIAL
ORIENTATION
PHOTOEMISSION
PHYSICAL PROPERTIES
POTENTIALS
RELATIVISTIC RANGE
SECONDARY EMISSION
SELF-CONSISTENT FIELD
SPIN ORIENTATION
TERNARY ALLOY SYSTEMS
VANADIUM ALLOYS
YTTRIUM ALLOYS