Interface Effect on Properties of Fe/BaTiO3/Fe Junction

Lei Deng; Dong Chen; Yin Lian Zhu; Xiu Liang Ma

doi:10.4028/www.scientific.net/AMR.465.244

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HomeAdvanced Materials ResearchAdvanced Materials Research Vol. 465Interface Effect on Properties of Fe/BaTiO3/Fe...

Interface Effect on Properties of Fe/BaTiO₃/Fe Junction

Abstract:

First principle calculations have been performed to study the interface structure effect on physical properties of the Fe/BaTiO₃/Fe junction. It is identified that Fe on top of the TiO₂- terminated plane with two Fe atoms adsorbed on the two O top sites is the most stable interface. The interface structure is found to affect the ferroelectric behavior of BaTiO₃ layer. With BaO-terminated interface, BaTiO₃ shows larger Ti-O distance compared with TiO₂-teminated interface. In addition, there is a sizable difference in magnetic moments on interfacial atoms at the two interfaces.

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Periodical:

Advanced Materials Research (Volume 465)

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244-247

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.465.244

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Online since:

February 2012

Authors:

Lei Deng, Dong Chen, Yin Lian Zhu, Xiu Liang Ma

Keywords:

DFT, Ferroelectricity, Interface Structure, Multi-Ferroic Material

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