Magnetism, electronic structure, and Fermi surface of Ni3Al

B. I. Min, Arthur J Freeman, H. J F Jansen

Research output: Contribution to journalArticle

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Abstract

The electronic structure and magnetic properties of the weak itinerant ferromagnet Ni3Al are investigated using the local-density self-consistent full-potential linearized-augmented-plane-wave method. At the experimental lattice constant, the ferromagnetic state is slightly lower in energy (1 mRy) than the paramagnetic state. The magnetic moment is 0.15B per Ni atom. The band structures and Fermi surfaces of both the paramagnetic and ferromagnetic phases are presented. Results are compared with experiment and with previous calculations. The shape of the Fermi surface is substantially modified by the exchange splitting. Remaining differences from experiment are explained by taking spin-orbit coupling into account.

Original languageEnglish
Pages (from-to)6757-6762
Number of pages6
JournalPhysical Review B
Volume37
Issue number12
DOIs
Publication statusPublished - 1988

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Fermi surface
Magnetism
Fermi surfaces
Electronic structure
electronic structure
Magnetic moments
Band structure
Lattice constants
Magnetic properties
Orbits
plane waves
magnetic moments
Experiments
magnetic properties
orbits
Atoms
atoms
energy

ASJC Scopus subject areas

  • Condensed Matter Physics

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Magnetism, electronic structure, and Fermi surface of Ni3Al. / Min, B. I.; Freeman, Arthur J; Jansen, H. J F.

In: Physical Review B, Vol. 37, No. 12, 1988, p. 6757-6762.

Research output: Contribution to journalArticle

Min, B. I. ; Freeman, Arthur J ; Jansen, H. J F. / Magnetism, electronic structure, and Fermi surface of Ni3Al. In: Physical Review B. 1988 ; Vol. 37, No. 12. pp. 6757-6762.
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