Publication detail

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

ZELENÝ, M. ŠOB, M. HAFNER, J.

Original Title

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

Type

journal article - other

Language

English

Original Abstract

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 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 3.1 mu_B for Fe and about 1 mu_B 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/mu_B established for bulk itinerant magnets.

Authors

ZELENÝ, M.; ŠOB, M.; HAFNER, J.

Released

16. 4. 2009

ISBN

1098-0121

Periodical

PHYSICAL REVIEW B

Year of study

79

Number

13

State

United States of America

Pages from

134421

Pages to

134430

Pages count

10

BibTex

@article{BUT102786,
  author="Martin {Zelený} and Mojmír {Šob} and Jürgen {Hafner}",
  title="Ab initio density functional calculations of ferromagnetism in low-dimensional nanostructures: From nanowires to nanorods",
  journal="PHYSICAL REVIEW B",
  year="2009",
  volume="79",
  number="13",
  pages="10",
  doi="10.1103/PhysRevB.79.134421",
  issn="1098-0121"
}