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Statements

Subject Item
n2:RIV%2F00216208%3A11320%2F11%3A10103787%21RIV12-GA0-11320___
rdf:type
n8:Vysledek skos:Concept
rdfs:seeAlso
http://www.sciencedirect.com/science/article/pii/S0921452611004443
dcterms:description
First-principles calculations based on density functional theory have been performed on the intermetallic compound NpNiSn. The electronic density of states, bonding properties and equilibrium volume have been studied using relativistic full-potential APW+Io calculations. The magnetocrystalline anisotropy energy has been estimated from total-energy calculations and the a-axis is predicted to be the easy axis of magnetization. The LSDA+U method has been employed to mimic the orbital polarization and to obtain the total magnetic moments. (C) 2011 Elsevier B.V. All rights reserved. First-principles calculations based on density functional theory have been performed on the intermetallic compound NpNiSn. The electronic density of states, bonding properties and equilibrium volume have been studied using relativistic full-potential APW+Io calculations. The magnetocrystalline anisotropy energy has been estimated from total-energy calculations and the a-axis is predicted to be the easy axis of magnetization. The LSDA+U method has been employed to mimic the orbital polarization and to obtain the total magnetic moments. (C) 2011 Elsevier B.V. All rights reserved.
dcterms:title
First-principles study of the structural properties and magnetism of NpNiSn First-principles study of the structural properties and magnetism of NpNiSn
skos:prefLabel
First-principles study of the structural properties and magnetism of NpNiSn First-principles study of the structural properties and magnetism of NpNiSn
skos:notation
RIV/00216208:11320/11:10103787!RIV12-GA0-11320___
n8:predkladatel
n14:orjk%3A11320
n4:aktivita
n6:Z n6:P
n4:aktivity
P(GA202/09/1027), P(GAP204/10/0330), Z(MSM0021620834)
n4:cisloPeriodika
14
n4:dodaniDat
n20:2012
n4:domaciTvurceVysledku
n9:9333665
n4:druhVysledku
n16:J
n4:duvernostUdaju
n21:S
n4:entitaPredkladatele
n19:predkladatel
n4:idSjednocenehoVysledku
199870
n4:idVysledku
RIV/00216208:11320/11:10103787
n4:jazykVysledku
n11:eng
n4:klicovaSlova
of NpNiSn; magnetism; properties; structural; study; First-principles
n4:klicoveSlovo
n10:First-principles n10:properties n10:of%20NpNiSn n10:study n10:magnetism n10:structural
n4:kodStatuVydavatele
NL - Nizozemsko
n4:kontrolniKodProRIV
[9BA1599A1170]
n4:nazevZdroje
Physica B: Condensed Matter
n4:obor
n18:BM
n4:pocetDomacichTvurcuVysledku
1
n4:pocetTvurcuVysledku
1
n4:projekt
n5:GAP204%2F10%2F0330 n5:GA202%2F09%2F1027
n4:rokUplatneniVysledku
n20:2011
n4:svazekPeriodika
406
n4:tvurceVysledku
Diviš, Martin
n4:wos
000292302400037
n4:zamer
n13:MSM0021620834
s:issn
0921-4526
s:numberOfPages
3
n22:doi
10.1016/j.physb.2011.04.059
n17:organizacniJednotka
11320