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  • We study the geometric and magnetic structures of fully relaxed symmetrical S5(210) grain boundary (GB) in nickel. The electronic structure and total energy are calculated using the density functional theory. Full relaxation (volume and shape) is performed in order to get equilibrium structures. The behaviour of the local magnetic moments and the interlayer distance in the vicinity of GB are studied for the pure S5(210) GB in nickel as well as for the S5(210) GB in nickel with substitutionally segregated impurity (sulphur, antimony).
  • We study the geometric and magnetic structures of fully relaxed symmetrical S5(210) grain boundary (GB) in nickel. The electronic structure and total energy are calculated using the density functional theory. Full relaxation (volume and shape) is performed in order to get equilibrium structures. The behaviour of the local magnetic moments and the interlayer distance in the vicinity of GB are studied for the pure S5(210) GB in nickel as well as for the S5(210) GB in nickel with substitutionally segregated impurity (sulphur, antimony). (en)
Title
  • Studium magnetismu hranic zrn v niklu z prvních principů
  • Studium magnetismu hranic zrn v niklu z prvních principů (en)
skos:prefLabel
  • Studium magnetismu hranic zrn v niklu z prvních principů
  • Studium magnetismu hranic zrn v niklu z prvních principů (en)
skos:notation
  • RIV/00216224:14310/08:00028828!RIV10-MSM-14310___
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • P(GA202/06/1509), P(GD106/05/H008), P(IAA1041302), Z(AV0Z20410507), Z(MSM0021622410)
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 398016
http://linked.open...ai/riv/idVysledku
  • RIV/00216224:14310/08:00028828
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • grain boundary magnetism nickel (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...ontrolniKodProRIV
  • [7EA8C482EA74]
http://linked.open...v/mistoKonaniAkce
  • Velké Bílovice
http://linked.open...i/riv/mistoVydani
  • Brno
http://linked.open...i/riv/nazevZdroje
  • Sborník doktorské konference: Víceúrovňový design pokrokových materiálů
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...vavai/riv/projekt
http://linked.open...UplatneniVysledku
http://linked.open...iv/tvurceVysledku
  • Šob, Mojmír
  • Všianská, Monika
http://linked.open...vavai/riv/typAkce
http://linked.open.../riv/zahajeniAkce
http://linked.open...n/vavai/riv/zamer
number of pages
http://purl.org/ne...btex#hasPublisher
  • Ústav fyziky materiálů AV ČR
https://schema.org/isbn
  • 978-80-254-3492-5
http://localhost/t...ganizacniJednotka
  • 14310
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