About: Ab initio density functional calculations of ferromagnetism in low-dimensional nanostructures: From nanowires to nanorods

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rdf:type	skos:Concept http://linked.opendata.cz/ontology/domain/vavai/Vysledek
Description	We present ab initio calculations of the electronic and magnetic properties of Fe and Ni nanostructures with a geometry varying between a straight linear wire and a three-dimensional nanorod. With decreasing tension along the axis of the nanostructure we find a series of transitions first from dimerized to periodic and zigzag wires, then to a planar triangular stripe, and further to a nanorod consisting of a periodic stacking of triangular antiprims. In all nanostructures atoms are in a high-moment state, with magnetic moments of about 3.1μB for Fe and about 1μB for Ni. A transition to a low-spin or nonmagnetic state is initiated at a fixed critical value of the interatomic distance, independent of dimension and coordination number. The analysis of the electronic structure shows that already for the one-dimensional nanostructures the ratio between exchange splitting and magnetic moment is close to the universal value I=Δ/M=1 eV/μB established for bulk itinerant magnets. We present ab initio calculations of the electronic and magnetic properties of Fe and Ni nanostructures with a geometry varying between a straight linear wire and a three-dimensional nanorod. With decreasing tension along the axis of the nanostructure we find a series of transitions first from dimerized to periodic and zigzag wires, then to a planar triangular stripe, and further to a nanorod consisting of a periodic stacking of triangular antiprims. In all nanostructures atoms are in a high-moment state, with magnetic moments of about 3.1μB for Fe and about 1μB for Ni. A transition to a low-spin or nonmagnetic state is initiated at a fixed critical value of the interatomic distance, independent of dimension and coordination number. The analysis of the electronic structure shows that already for the one-dimensional nanostructures the ratio between exchange splitting and magnetic moment is close to the universal value I=Δ/M=1 eV/μB established for bulk itinerant magnets. (en)
Title	Ab initio density functional calculations of ferromagnetism in low-dimensional nanostructures: From nanowires to nanorods Ab initio density functional calculations of ferromagnetism in low-dimensional nanostructures: From nanowires to nanorods (en)
skos:prefLabel	Ab initio density functional calculations of ferromagnetism in low-dimensional nanostructures: From nanowires to nanorods Ab initio density functional calculations of ferromagnetism in low-dimensional nanostructures: From nanowires to nanorods (en)
skos:notation	RIV/68081723:_____/09:00331501!RIV10-MSM-68081723
http://linked.open...avai/riv/aktivita	P Z
http://linked.open...avai/riv/aktivity	P(GA202/09/1786), P(IAA100100920), P(OC 147), P(OC09011), Z(AV0Z20410507), Z(MSM0021622410)
http://linked.open...iv/cisloPeriodika	13
http://linked.open...vai/riv/dodaniDat	2010
http://linked.open...aciTvurceVysledku	Zelený, Martin Šob, Mojmír
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	Ústav fyziky materiálů AV ČR, v. v. i.
http://linked.open...dnocenehoVysledku	301681
http://linked.open...ai/riv/idVysledku	RIV/68081723:_____/09:00331501
http://linked.open...riv/jazykVysledku	eng - angličtina
http://linked.open.../riv/klicovaSlova	magnetism of nanostructures; nanowires; iron; nickel (en)
http://linked.open.../riv/klicoveSlovo	nickel nanowires magnetism of nanostructures iron
http://linked.open...odStatuVydavatele	US - Spojené státy americké
http://linked.open...ontrolniKodProRIV	[D29A5FFEAEF8]
http://linked.open...i/riv/nazevZdroje	Physical Review. B
http://linked.open...in/vavai/riv/obor	BM
http://linked.open...ichTvurcuVysledku	2 (xsd:int)
http://linked.open...cetTvurcuVysledku	3 (xsd:int)
http://linked.open...vavai/riv/projekt	http://linked.opendata.cz/resource/domain/vavai/projekt/OC%20147 Multiscale modelling of structure and properties of nanowires Theoretical studies of grain boundaries with point defects and their aggregates Theoretical and experimental study of interfaces and martensitic phase transformations
http://linked.open...UplatneniVysledku	2009
http://linked.open...v/svazekPeriodika	79
http://linked.open...iv/tvurceVysledku	Zelený, Martin Šob, Mojmír Hafner, J.
http://linked.open...ain/vavai/riv/wos	000265942800082
http://linked.open...n/vavai/riv/zamer	Physical properties of advanced materials in relation to their microstructure and processing Physical and chemical properties of advanced materials and structures
issn	1098-0121
number of pages	10 (xsd:int)
is http://linked.open...avai/riv/vysledek of	Ab initio density functional calculations of ferromagnetism in low-dimensional nanostructures: From nanowires to nanorods Ab initio density functional calculations of ferromagnetism in low-dimensional nanostructures: From nanowires to nanorods Ab initio density functional calculations of ferromagnetism in low-dimensional nanostructures: From nanowires to nanorods Ab initio density functional calculations of ferromagnetism in low-dimensional nanostructures: From nanowires to nanorods

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