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  • Phase stability, magnetic behavior and theoretical strength of Ni3Al is studied by means of first-principles electronic structure calculations. Total energy calculations are performed along the trigonal and tetragonal deformation paths. The phase boundaries between the ferromagnetic and non-magnetic phase are determined.
  • Phase stability, magnetic behavior and theoretical strength of Ni3Al is studied by means of first-principles electronic structure calculations. Total energy calculations are performed along the trigonal and tetragonal deformation paths. The phase boundaries between the ferromagnetic and non-magnetic phase are determined. (en)
Title
  • Magnetism and phase stability of Ni3Al structures.
  • Magnetism and phase stability of Ni3Al structures. (en)
skos:prefLabel
  • Magnetism and phase stability of Ni3Al structures.
  • Magnetism and phase stability of Ni3Al structures. (en)
skos:notation
  • RIV/68081723:_____/03:07033152!RIV/2004/AV0/A07004/N
http://linked.open.../vavai/riv/strany
  • 261;269
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  • P(IAA1010817), P(OC 523.90), Z(AV0Z2041904)
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  • 614114
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  • RIV/68081723:_____/03:07033152
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  • ab initio calculations; electronic structure; higher-energy phases (en)
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  • [FF5E26B25BBE]
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  • Brno [CZ]
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  • Brno
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  • Soutěž studentské tvůrčí činnosti 'Student FCH 2002', Sborník příspěvků.
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  • Friák, Martin
  • Šob, Mojmír
  • Fiala, J.
  • Legut, Dominik
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number of pages
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  • Vysoké učení technické v Brně. Fakulta chemická
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  • 80-214-2347-1
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