About: First-principles study of the structural properties and magnetism of NpNiSn

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
rdfs:seeAlso	http://www.sciencedirect.com/science/article/pii/S0921452611004443
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. (en)
Title	First-principles study of the structural properties and magnetism of NpNiSn First-principles study of the structural properties and magnetism of NpNiSn (en)
skos:prefLabel	First-principles study of the structural properties and magnetism of NpNiSn First-principles study of the structural properties and magnetism of NpNiSn (en)
skos:notation	RIV/00216208:11320/11:10103787!RIV12-GA0-11320___
http://linked.open...avai/predkladatel	Matematicko-fyzikální fakulta
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA202/09/1027), P(GAP204/10/0330), Z(MSM0021620834)
http://linked.open...iv/cisloPeriodika	14
http://linked.open...vai/riv/dodaniDat	2012
http://linked.open...aciTvurceVysledku	Diviš, Martin
http://linked.open.../riv/druhVysledku	J - Článek v odborném periodiku
http://linked.open...iv/duvernostUdaju	S - Úplné a pravdivé údaje nepodléhající ochraně podle zvláštních právních předpisů
http://linked.open...titaPredkladatele	Univerzita Karlova v Praze / Matematicko-fyzikální fakulta
http://linked.open...dnocenehoVysledku	199870
http://linked.open...ai/riv/idVysledku	RIV/00216208:11320/11:10103787
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	of NpNiSn; magnetism; properties; structural; study; First-principles (en)
http://linked.open.../riv/klicoveSlovo	First-principles of NpNiSn structural study magnetism properties
http://linked.open...odStatuVydavatele	NL - Nizozemsko
http://linked.open...ontrolniKodProRIV	[9BA1599A1170]
http://linked.open...i/riv/nazevZdroje	Physica B: Condensed Matter
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	1 (xsd:int)
http://linked.open...cetTvurcuVysledku	1 (xsd:int)
http://linked.open...vavai/riv/projekt	Exotic quantum states in 4f- and 5f-electron intermetallics Nanostructured actinide-based materials: Theory and experiment
http://linked.open...UplatneniVysledku	2011
http://linked.open...v/svazekPeriodika	406
http://linked.open...iv/tvurceVysledku	Diviš, Martin
http://linked.open...ain/vavai/riv/wos	000292302400037
http://linked.open...n/vavai/riv/zamer	Condensed Matter Physics – New Materials and Technologies
issn	0921-4526
number of pages	3 (xsd:int)
http://bibframe.org/vocab/doi	10.1016/j.physb.2011.04.059
http://localhost/t...ganizacniJednotka	11320
is http://linked.open...avai/riv/vysledek of	First-principles study of the structural properties and magnetism of NpNiSn First-principles study of the structural properties and magnetism of NpNiSn

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