Effect of Replacement of Fe2+ by Co2+ in W-Type Hexagonal Ferrite BaFe18O27 to its Electronic Properties from First Principles

Chung Ho Ri; Lin Li; Yang Qi; Su Nam Kim

doi:10.4028/www.scientific.net/AMR.424-425.137

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HomeAdvanced Materials ResearchAdvanced Materials Research Vols. 424-425Effect of Replacement of Fe2+ by Co2+ in W-Type...

Effect of Replacement of Fe²⁺ by Co²⁺ in W-Type Hexagonal Ferrite BaFe₁₈O₂₇ to its Electronic Properties from First Principles

Abstract:

Using a model in which Fe at 6g sites is assumed to be partially replaced by Co, the electronic ground structure of BaCo₂Fe16O₂₇ and the origin of the electrical conductivity have been studied within framework of the generalized gradient approximation (GGA) plus Hubbard U (GGA+U) calculation. Replacement of Fe at 6g site of BaFe₁₈O₂₇ by Co causes the mixed valence states of Fe cations at 6g sites to vanish and the charge carrier density to lower. This is the main reason why both of materials reveal high electrical conductive anisotropy and the electrical resistivity of BaCo₂-W is 10³~10⁴ times higher than BaFe₂-W.

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Periodical:

Advanced Materials Research (Volumes 424-425)

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137-140

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https://doi.org/10.4028/www.scientific.net/AMR.424-425.137

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January 2012

Authors:

Chung Ho Ri, Lin Li, Yang Qi, Su Nam Kim

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Electrical Conductivity, Electronic Structure, First-Principle, W-Type Hexagonal Ferrites

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References

[1] A. Collomb, P. Wolfers and X. Obradors: J. Magn. Magn. Mater. 62 (1986), p.57.

Google Scholar

[2] G. Albanese, M. Carbucchio and G. Asti: App. Phys. Vol. 11 (1976), p.81.

Google Scholar

[3] P. B. Braun: Philips. Res. Rep. Vol. 12 (1957), p.491.

Google Scholar

[4] Z. Ŝimŝa Z , A. V. Zalesskij and K. Závĕta: Phys. Stat. Sol. Vol. 14 (1966) , p.485.

Google Scholar

[5] G. Kresse G and J. Furthmüller: Phys. Rev. B Vol. 54 (1996), p.11169.

Google Scholar

[6] S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys and A. P. Sutton: Phys. Rev. B Vol. 57 (1998), p.1505.

Google Scholar

[7] L. Wang, T. Maxisch and G. Ceder: Phys. Rev. B Vol. 73 (2006), p.195107.

Google Scholar

[8] E.W. Gorter: Proc. IEE Vol. 104B (suppl. 5) (1957), p.255.

Google Scholar

[9] Ri ChungHo , Li Lin and Zhu Lin: Acta Phys. Sin-Ch Ed. Vol. 60(2011), p.107102.

Google Scholar

[10] R.F.W. Bader, in: Atoms in Molecules: A Quantum Theory (Oxford University Press, New York, 1990). Bader program on http: /theory. cm. utexas. edu/vtsttools/bader.

Google Scholar

[11] C.G. Zhou, Q. F. Zhang, L. Chen, B. Han, G. Ni, J. P. Wu, D. Garg and H. S. Cheng: J. Phys. Chem. Vol. 114 (2010), p.21405.

Google Scholar

[12] G. Henkelman,A. Arnaldsson and H. Jónsson: Comp. Mater. Sci. Vol. 36 (2006), p.354.

Google Scholar

[13] M. J. Wenzel, G. Steinle-Neumann: Phys. Rev. B Vol. 75 (2007), p.214430.

Google Scholar