Characterization of iron ferromagnetism by the local atomic volume: from three-dimensional structures to isolated atoms

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F14%3A00077376" target="_blank" >RIV/00216224:14740/14:00077376 - isvavai.cz</a>
Alternative codes found
RIV/68081723:_____/14:00435419
Result on the web
<a href="http://www.ncbi.nlm.nih.gov/pubmed/24501204" target="_blank" >http://www.ncbi.nlm.nih.gov/pubmed/24501204</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1088/0953-8984/26/8/086002" target="_blank" >10.1088/0953-8984/26/8/086002</a>

Result language
angličtina
Original language name
Characterization of iron ferromagnetism by the local atomic volume: from three-dimensional structures to isolated atoms
Original language description
We present a comprehensive study of the relationship between the ferromagnetism and the structural properties of Fe systems from three-dimensional ones to isolated atoms based on the spin-density functional theory. We have found a relation between the magnetic moment and the volume of the Voronoi polyhedron, determining, in most cases, the value of the total magnetic moment as a function of this volume with an average accuracy of +/-0.28 mu(B) and of the 3d magnetic moment with an average accuracy of +/-0.07 mu(B) when the atomic volume is larger than 22 angstrom(3).
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)

Publication year
2014
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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