Original title: Magnetism and phase stability of Ni3Al structures
Authors: Legut, Dominik ; Friák, Martin ; Šob, Mojmír ; Fiala, J.
Document type: Papers
Conference/Event: Soutěž studentské tvůrčí činnosti "Student FCH 2002"., Brno (CZ), 2002-10-17
Year: 2003
Language: eng
Abstract: 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.
Keywords: ab initio calculations; electronic structure; higher-energy phases
Project no.: CEZ:AV0Z2041904 (CEP), IAA1010817 (CEP), OC 523.90
Funding provider: GA AV ČR, GA MŠk
Host item entry: Soutěž studentské tvůrčí činnosti "Student FCH 2002", Sborník příspěvků, ISBN 80-214-2347-1

Institution: Institute of Physics of Materials AS ČR (web)
Document availability information: Fulltext is available at the institute of the Academy of Sciences.
Original record: http://hdl.handle.net/11104/0075024

Permalink: http://www.nusl.cz/ntk/nusl-26593


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Research > Institutes ASCR > Institute of Physics of Materials
Conference materials > Papers