Half-Metallicity Induced by Boron Adsorption on an Fe3O4(100) Surface

Xia Sun; Andrew Pratt; Yasushi Yamauchi

doi:10.1039/C5CP02466H

Half-Metallicity Induced by Boron Adsorption on an Fe₃O₄(100) Surface

Xia Sun, Andrew Pratt, Yasushi Yamauchi

Physics

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

Abstract

The spin polarization of magnetite Fe₃O₄ is significantly reduced at its surfaces, which is unfavorable for the development of spintronic devices based on this material. In order to enhance the surface spin polarization, the Fe₃O₄(100) surface is modified here through the adsorption of boron (B) atoms and investigated by density functional theory (DFT) calculations. We find for the bulk-terminated and cation-redistributed surfaces that a band gap is opened in the spin-up electronic states due to the formation of a strong bond between the B atom and a surface oxygen atom, i.e., B adsorption induces half-metallicity at the Fe₃O₄(100) surface. Besides the surface Fe and O atoms, the adsorbed B atoms have a considerable density of -100% spin-polarized electronic states at the Fermi level, which might provide a means to improving the efficiency of spin injection in spintronic devices.

Original language	English
Pages (from-to)	15386-15391
Number of pages	6
Journal	Physical Chemistry Chemical Physics
Volume	17
Early online date	11 May 2015
DOIs	https://doi.org/10.1039/C5CP02466H
Publication status	E-pub ahead of print - 11 May 2015

Keywords

Spin polarisation
Boron adsorption
Fe3O4
Density functional theory
Spintronics

Access to Document

10.1039/C5CP02466H

http://pubs.rsc.org/en/content/articlelanding/2015/cp/c5cp02466h#!divAbstract

RPF 13/14 High-energy-resolution spectroscopy of functional nanomaterials
McKenna, K. P., Lazarov, V., Clark, J. H. & Pratt, A.
1/08/13 → 31/07/14
Project: Other project › Other internal award

Cite this

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title = "Half-Metallicity Induced by Boron Adsorption on an Fe3O4(100) Surface",

abstract = "The spin polarization of magnetite Fe3O4 is significantly reduced at its surfaces, which is unfavorable for the development of spintronic devices based on this material. In order to enhance the surface spin polarization, the Fe3O4(100) surface is modified here through the adsorption of boron (B) atoms and investigated by density functional theory (DFT) calculations. We find for the bulk-terminated and cation-redistributed surfaces that a band gap is opened in the spin-up electronic states due to the formation of a strong bond between the B atom and a surface oxygen atom, i.e., B adsorption induces half-metallicity at the Fe3O4(100) surface. Besides the surface Fe and O atoms, the adsorbed B atoms have a considerable density of -100% spin-polarized electronic states at the Fermi level, which might provide a means to improving the efficiency of spin injection in spintronic devices.",

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author = "Xia Sun and Andrew Pratt and Yasushi Yamauchi",

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doi = "10.1039/C5CP02466H",

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journal = "Physical Chemistry Chemical Physics",

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T1 - Half-Metallicity Induced by Boron Adsorption on an Fe3O4(100) Surface

AU - Sun, Xia

AU - Pratt, Andrew

AU - Yamauchi, Yasushi

PY - 2015/5/11

Y1 - 2015/5/11

N2 - The spin polarization of magnetite Fe3O4 is significantly reduced at its surfaces, which is unfavorable for the development of spintronic devices based on this material. In order to enhance the surface spin polarization, the Fe3O4(100) surface is modified here through the adsorption of boron (B) atoms and investigated by density functional theory (DFT) calculations. We find for the bulk-terminated and cation-redistributed surfaces that a band gap is opened in the spin-up electronic states due to the formation of a strong bond between the B atom and a surface oxygen atom, i.e., B adsorption induces half-metallicity at the Fe3O4(100) surface. Besides the surface Fe and O atoms, the adsorbed B atoms have a considerable density of -100% spin-polarized electronic states at the Fermi level, which might provide a means to improving the efficiency of spin injection in spintronic devices.

AB - The spin polarization of magnetite Fe3O4 is significantly reduced at its surfaces, which is unfavorable for the development of spintronic devices based on this material. In order to enhance the surface spin polarization, the Fe3O4(100) surface is modified here through the adsorption of boron (B) atoms and investigated by density functional theory (DFT) calculations. We find for the bulk-terminated and cation-redistributed surfaces that a band gap is opened in the spin-up electronic states due to the formation of a strong bond between the B atom and a surface oxygen atom, i.e., B adsorption induces half-metallicity at the Fe3O4(100) surface. Besides the surface Fe and O atoms, the adsorbed B atoms have a considerable density of -100% spin-polarized electronic states at the Fermi level, which might provide a means to improving the efficiency of spin injection in spintronic devices.

KW - Spin polarisation

KW - Boron adsorption

KW - Fe3O4

KW - Density functional theory

KW - Spintronics

U2 - 10.1039/C5CP02466H

DO - 10.1039/C5CP02466H

M3 - Article

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VL - 17

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JF - Physical Chemistry Chemical Physics

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