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

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14310%2F09%3A00028652" target="_blank" >RIV/00216224:14310/09:00028652 - isvavai.cz</a>

Alternative codes found

RIV/68081723:_____/09:00331501

Result on the web

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DOI - Digital Object Identifier

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Result language

angličtina

Original language name

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

Original language description

We present ab initio spin-density functional 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 axisof 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 3.1muB for Fe and about 1muB 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=Delta/M=1 eV/muB established for bulk iti

Czech name

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Czech description

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Type

J_x - 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

2009

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Physical Review B

ISSN

1098-0121

e-ISSN

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Volume of the periodical

79

Issue of the periodical within the volume

13

Country of publishing house

US - UNITED STATES

Number of pages

10

Pages from-to

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UT code for WoS article

000265942800082

EID of the result in the Scopus database

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