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

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F11%3A10103787" target="_blank" >RIV/00216208:11320/11:10103787 - isvavai.cz</a>
Result on the web
<a href="http://www.sciencedirect.com/science/article/pii/S0921452611004443" target="_blank" >http://www.sciencedirect.com/science/article/pii/S0921452611004443</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.physb.2011.04.059" target="_blank" >10.1016/j.physb.2011.04.059</a>

Result language
angličtina
Original language name
First-principles study of the structural properties and magnetism of NpNiSn
Original language 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.
Czech name
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Czech description
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Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
BM - Solid-state physics and magnetism
OECD FORD branch
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Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>Z - Vyzkumny zamer (s odkazem do CEZ)

Publication year
2011
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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