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AB INITIO STUDY OF NICKEL MAGNETISM ALONG THE TETRAGONAL AND TRIGONAL DEFORMATION PATHS
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SYSNO ASEP 0029606 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Ostatní články Title AB INITIO STUDY OF NICKEL MAGNETISM ALONG THE TETRAGONAL AND TRIGONAL DEFORMATION PATHS Title Studium magnetismu niklu podél tetragonální a trigonální deformační dráhy z prvních principů Author(s) Zelený, M. (CZ)
Legut, Dominik (UFM-A)
Šob, Mojmír (UFM-A) RID, ORCID
Fiala, J. (CZ)Source Title Chemické listy. - : Česká společnost chemická - ISSN 0009-2770
Roč. 99, - (2005), s496-s498Number of pages 3 s. Action Chemistry & Life Event date 20.09.2005-22.09.2005 VEvent location Brno Country CZ - Czech Republic Event type WRD Language eng - English Country CZ - Czech Republic Keywords magnetism in metals ; electronic structure ; ab initio calculations Subject RIV BM - Solid Matter Physics ; Magnetism R&D Projects GA202/03/1351 GA ČR - Czech Science Foundation (CSF) GD106/05/H008 GA ČR - Czech Science Foundation (CSF) IAA1041302 GA AV ČR - Academy of Sciences of the Czech Republic (AV ČR) CEZ AV0Z20410507 - UFM-A (2005-2011) Annotation We calculate total energy of nickel along the tetragonal and trigonal deformation paths at various volumes to identify the stable and metastable phases and to find the phase boundaries between various nickel modifications. The calculated total energies are used to predict lattice parameters and the type of magnetic ordering of nickel overlayers at various (001) and (111) substrates. Workplace Institute of Physics of Materials Contact Yvonna Šrámková, sramkova@ipm.cz, Tel.: 532 290 485 Year of Publishing 2006
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