Interface-dependent magnetic anisotropy of Fe/BaTiO3: A first principles study

Heechae Choi; Yubin Hwang; Eung Kwan Lee; Yong Chae Chung

doi:10.1063/1.3548859

Interface-dependent magnetic anisotropy of Fe/BaTiO₃: A first principles study

Heechae Choi^*, Yubin Hwang, Eung Kwan Lee, Yong Chae Chung

^*Corresponding author for this work

Hanyang University

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

10 Citations (Scopus)

Abstract

Using first principles calculations, we investigated interface structure effects on the magnetic properties of the Fe/BaTiO₃ system. On the BaO-terminated surface, a Fe monolayer is formed as two Fe atoms are adsorbed on the top sites of Ba and O in the (1×1) surface unit and a Fe monolayer (ML) is formed on the TiO₂-terminated surface as two Fe atoms are adsorbed on the two O top sites. The magnetic anisotropy energy of Fe was higher on the TiO₂-terminated surface (1.5 eV) than on the BaO-terminated surface (0.5 eV). The decomposed electron density of the states showed that the stronger hybridization of Fe with the TiO₂ layer than with the BaO layer is the most important reason for the higher magnetic anisotropy energy.

Original language	English
Article number	07D909
Journal	Journal of Applied Physics
Volume	109
Issue number	7
DOIs	https://doi.org/10.1063/1.3548859
Publication status	Published - 1 Apr 2011
Externally published	Yes

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title = "Interface-dependent magnetic anisotropy of Fe/BaTiO3: A first principles study",

abstract = "Using first principles calculations, we investigated interface structure effects on the magnetic properties of the Fe/BaTiO3 system. On the BaO-terminated surface, a Fe monolayer is formed as two Fe atoms are adsorbed on the top sites of Ba and O in the (1×1) surface unit and a Fe monolayer (ML) is formed on the TiO2-terminated surface as two Fe atoms are adsorbed on the two O top sites. The magnetic anisotropy energy of Fe was higher on the TiO2-terminated surface (1.5 eV) than on the BaO-terminated surface (0.5 eV). The decomposed electron density of the states showed that the stronger hybridization of Fe with the TiO2 layer than with the BaO layer is the most important reason for the higher magnetic anisotropy energy.",

author = "Heechae Choi and Yubin Hwang and Lee, {Eung Kwan} and Chung, {Yong Chae}",

note = "Funding Information: This work was supported by a by Basic Science Research Program through the National Research Foundation (NFR) of Korea funded by the Ministry of Education, Science and Technology (Grant No. 2010-0023761).",

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doi = "10.1063/1.3548859",

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journal = "Journal of Applied Physics",

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T1 - Interface-dependent magnetic anisotropy of Fe/BaTiO3

T2 - A first principles study

AU - Choi, Heechae

AU - Hwang, Yubin

AU - Lee, Eung Kwan

AU - Chung, Yong Chae

N1 - Funding Information: This work was supported by a by Basic Science Research Program through the National Research Foundation (NFR) of Korea funded by the Ministry of Education, Science and Technology (Grant No. 2010-0023761).

PY - 2011/4/1

Y1 - 2011/4/1

N2 - Using first principles calculations, we investigated interface structure effects on the magnetic properties of the Fe/BaTiO3 system. On the BaO-terminated surface, a Fe monolayer is formed as two Fe atoms are adsorbed on the top sites of Ba and O in the (1×1) surface unit and a Fe monolayer (ML) is formed on the TiO2-terminated surface as two Fe atoms are adsorbed on the two O top sites. The magnetic anisotropy energy of Fe was higher on the TiO2-terminated surface (1.5 eV) than on the BaO-terminated surface (0.5 eV). The decomposed electron density of the states showed that the stronger hybridization of Fe with the TiO2 layer than with the BaO layer is the most important reason for the higher magnetic anisotropy energy.

AB - Using first principles calculations, we investigated interface structure effects on the magnetic properties of the Fe/BaTiO3 system. On the BaO-terminated surface, a Fe monolayer is formed as two Fe atoms are adsorbed on the top sites of Ba and O in the (1×1) surface unit and a Fe monolayer (ML) is formed on the TiO2-terminated surface as two Fe atoms are adsorbed on the two O top sites. The magnetic anisotropy energy of Fe was higher on the TiO2-terminated surface (1.5 eV) than on the BaO-terminated surface (0.5 eV). The decomposed electron density of the states showed that the stronger hybridization of Fe with the TiO2 layer than with the BaO layer is the most important reason for the higher magnetic anisotropy energy.

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JO - Journal of Applied Physics

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Interface-dependent magnetic anisotropy of Fe/BaTiO₃: A first principles study

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