Structural, electronic and magnetic properties of NiAl and FeAl alloys

B. I. Min; T. Oguchi; H. J.F. Jansen; A. J. Freeman

doi:10.1016/0304-8853(86)90396-3

Structural, electronic and magnetic properties of NiAl and FeAl alloys

B. I. Min, T. Oguchi, H. J.F. Jansen, A. J. Freeman

Northwestern University

Research output: Contribution to journal › Article › peer-review

68 Citations (Scopus)

Abstract

Local density total energy and electronic structure calculations for NiAl, Ni₃Al, FeAl and Fe₃Al yield lattice constants which agree well with experiment. We find for Ni₃Al the Cu₃Au structure, and for Fe₃Al the DO₃ structure as their ground states, NiAl is paramagnetic, Fe₃Al ferromagnetic, and Ni₃Al and FeAl show weak itinerant magnetic phases.

Original language	English
Pages (from-to)	1091-1092
Number of pages	2
Journal	Journal of Magnetism and Magnetic Materials
Volume	54-57
Issue number	PART 2
DOIs	https://doi.org/10.1016/0304-8853(86)90396-3
Publication status	Published - Feb 1986

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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title = "Structural, electronic and magnetic properties of NiAl and FeAl alloys",

abstract = "Local density total energy and electronic structure calculations for NiAl, Ni3Al, FeAl and Fe3Al yield lattice constants which agree well with experiment. We find for Ni3Al the Cu3Au structure, and for Fe3Al the DO3 structure as their ground states, NiAl is paramagnetic, Fe3Al ferromagnetic, and Ni3Al and FeAl show weak itinerant magnetic phases.",

author = "Min, {B. I.} and T. Oguchi and Jansen, {H. J.F.} and Freeman, {A. J.}",

note = "Funding Information: This work was supportedb y the Air Force Office of Scientific Research( grantno. 81-0024)a nd by a computing grant from NASA Lewis ResearchC enter.The excellenst ervicea t the NASA Lewis ComputingC enter is greatlya ppreciatedW. e would like to thank Raimund Podlouckyf or helpful discussions.",

year = "1986",

month = feb,

doi = "10.1016/0304-8853(86)90396-3",

language = "English",

volume = "54-57",

pages = "1091--1092",

journal = "Journal of Magnetism and Magnetic Materials",

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T1 - Structural, electronic and magnetic properties of NiAl and FeAl alloys

AU - Min, B. I.

AU - Oguchi, T.

AU - Jansen, H. J.F.

AU - Freeman, A. J.

N1 - Funding Information: This work was supportedb y the Air Force Office of Scientific Research( grantno. 81-0024)a nd by a computing grant from NASA Lewis ResearchC enter.The excellenst ervicea t the NASA Lewis ComputingC enter is greatlya ppreciatedW. e would like to thank Raimund Podlouckyf or helpful discussions.

PY - 1986/2

Y1 - 1986/2

N2 - Local density total energy and electronic structure calculations for NiAl, Ni3Al, FeAl and Fe3Al yield lattice constants which agree well with experiment. We find for Ni3Al the Cu3Au structure, and for Fe3Al the DO3 structure as their ground states, NiAl is paramagnetic, Fe3Al ferromagnetic, and Ni3Al and FeAl show weak itinerant magnetic phases.

AB - Local density total energy and electronic structure calculations for NiAl, Ni3Al, FeAl and Fe3Al yield lattice constants which agree well with experiment. We find for Ni3Al the Cu3Au structure, and for Fe3Al the DO3 structure as their ground states, NiAl is paramagnetic, Fe3Al ferromagnetic, and Ni3Al and FeAl show weak itinerant magnetic phases.

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