Electronic structure and magnetic properties of Fe-rich ternary compounds: YFe sub 10 V sub 2 and YFe sub 10 Cr sub 2

Journal Article · Tue May 01 00:00:00 EDT 1990 · Journal of Applied Physics; (USA)

DOI:https://doi.org/10.1063/1.344871· OSTI ID:6906445

Jaswal, S S; Ren, Y G; Sellmyer, D J ^[1]

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1. 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), Vol. 67:9, Issue 9; ISSN 0021-8979
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
CHROMIUM ALLOYS
ELECTRONIC STRUCTURE
MAGNETIC PROPERTIES
IRON ALLOYS
VANADIUM ALLOYS
YTTRIUM ALLOYS
BAND THEORY
D STATES
ENERGY-LEVEL DENSITY
FERMI LEVEL
MAGNETIZATION
MUFFIN-TIN POTENTIAL
PHOTOEMISSION
RELATIVISTIC RANGE
SELF-CONSISTENT FIELD
SPIN ORIENTATION
TERNARY ALLOY SYSTEMS
ALLOY SYSTEMS
ALLOYS
EMISSION
ENERGY LEVELS
ENERGY RANGE
ORIENTATION
PHYSICAL PROPERTIES
POTENTIALS
SECONDARY EMISSION
360104* - Metals & Alloys- Physical Properties