Fe adatoms along Bi nanolines on H/Si(001)

W. Orellana; R. H. Miwa

doi:10.1063/1.2236558

Fe adatoms along Bi nanolines on H/Si(001)

W. Orellana, R. H. Miwa

Exact Sciences School

Research output: Contribution to journal › Article › peer-review

14 Citations (Scopus)

Abstract

The stability and electronic and magnetic properties of Fe atoms adsorbed on the self-assembled Bi-line nanostructure on the H/Si(001) surface are addressed by spin-density functional calculations. Our results show that Fe adatoms are much more stable on sites closer to the Bi nanolines suggesting that they form one-dimensional atomic arrays. The most stable structure occurs on a missing dimer line beside the Bi dimers, which corresponds to an array with distances between Fe adatoms of about 8 Å. In this array the irons are coupled antiferromagnetically with spin magnetic moment of about 1.5μ_B per Fe atom, whereas the coupling exchange interactions is found to be of about 14.4 meV. We also estimate a large magnetic anisotropy energy of 3 meV/at. originated on the structural anisotropy of the Fe-adatom site. In addition, the electronic band structure of the Fe array at the most stable structure shows a magnetic half-metal behavior.

Original language	English
Article number	093105
Journal	Applied Physics Letters
Volume	89
Issue number	9
DOIs	https://doi.org/10.1063/1.2236558
Publication status	Published - 2006

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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10.1063/1.2236558

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title = "Fe adatoms along Bi nanolines on H/Si(001)",

abstract = "The stability and electronic and magnetic properties of Fe atoms adsorbed on the self-assembled Bi-line nanostructure on the H/Si(001) surface are addressed by spin-density functional calculations. Our results show that Fe adatoms are much more stable on sites closer to the Bi nanolines suggesting that they form one-dimensional atomic arrays. The most stable structure occurs on a missing dimer line beside the Bi dimers, which corresponds to an array with distances between Fe adatoms of about 8 {\AA}. In this array the irons are coupled antiferromagnetically with spin magnetic moment of about 1.5μB per Fe atom, whereas the coupling exchange interactions is found to be of about 14.4 meV. We also estimate a large magnetic anisotropy energy of 3 meV/at. originated on the structural anisotropy of the Fe-adatom site. In addition, the electronic band structure of the Fe array at the most stable structure shows a magnetic half-metal behavior.",

author = "W. Orellana and Miwa, {R. H.}",

note = "Funding Information: This work was supported by the Chilean agency FONDECYT, under Grant Nos. 1050197 and 7050159. One of the authors (W.O.) acknowledges the Millennium Nucleus of Applied Quantum Mechanics and Computational Chemistry for financial support, through Project No. P02-004-F. The other author (R.H.M.) acknowledges the Brazilian agencies CNPq and FAPEMIG.",

year = "2006",

doi = "10.1063/1.2236558",

language = "English",

volume = "89",

journal = "Applied Physics Letters",

issn = "0003-6951",

publisher = "American Institute of Physics",

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TY - JOUR

T1 - Fe adatoms along Bi nanolines on H/Si(001)

AU - Orellana, W.

AU - Miwa, R. H.

N1 - Funding Information: This work was supported by the Chilean agency FONDECYT, under Grant Nos. 1050197 and 7050159. One of the authors (W.O.) acknowledges the Millennium Nucleus of Applied Quantum Mechanics and Computational Chemistry for financial support, through Project No. P02-004-F. The other author (R.H.M.) acknowledges the Brazilian agencies CNPq and FAPEMIG.

PY - 2006

Y1 - 2006

N2 - The stability and electronic and magnetic properties of Fe atoms adsorbed on the self-assembled Bi-line nanostructure on the H/Si(001) surface are addressed by spin-density functional calculations. Our results show that Fe adatoms are much more stable on sites closer to the Bi nanolines suggesting that they form one-dimensional atomic arrays. The most stable structure occurs on a missing dimer line beside the Bi dimers, which corresponds to an array with distances between Fe adatoms of about 8 Å. In this array the irons are coupled antiferromagnetically with spin magnetic moment of about 1.5μB per Fe atom, whereas the coupling exchange interactions is found to be of about 14.4 meV. We also estimate a large magnetic anisotropy energy of 3 meV/at. originated on the structural anisotropy of the Fe-adatom site. In addition, the electronic band structure of the Fe array at the most stable structure shows a magnetic half-metal behavior.

AB - The stability and electronic and magnetic properties of Fe atoms adsorbed on the self-assembled Bi-line nanostructure on the H/Si(001) surface are addressed by spin-density functional calculations. Our results show that Fe adatoms are much more stable on sites closer to the Bi nanolines suggesting that they form one-dimensional atomic arrays. The most stable structure occurs on a missing dimer line beside the Bi dimers, which corresponds to an array with distances between Fe adatoms of about 8 Å. In this array the irons are coupled antiferromagnetically with spin magnetic moment of about 1.5μB per Fe atom, whereas the coupling exchange interactions is found to be of about 14.4 meV. We also estimate a large magnetic anisotropy energy of 3 meV/at. originated on the structural anisotropy of the Fe-adatom site. In addition, the electronic band structure of the Fe array at the most stable structure shows a magnetic half-metal behavior.

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DO - 10.1063/1.2236558

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VL - 89

JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 9

M1 - 093105

ER -

Fe adatoms along Bi nanolines on H/Si(001)

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