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First-Principles Study of Polarization Behavior in BaTiO₃/PbTiO₃ Ferroelectric Superlattices
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HomeAdvanced Materials ResearchAdvanced Materials Research Vol. 833First-Principles Study of Polarization Behavior in...

First-Principles Study of Polarization Behavior in BaTiO₃/PbTiO₃ Ferroelectric Superlattices

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Abstract:

We performed the first principle calculation to investigate the polarization behavior of BaTiO3(BTO)/PbTiO3(PTO) superlattices with a period-5 superlattice model. The results show that when BTO proportion increases, values of c/a increase and polarizations decrease. In BPT superlattices, polarization in each local layer keeps a constant value, indicating that short-period BPT superlattices can be approximately considered as a single ferroelectric material. Moreover, from analysis of the electrostatic model, we know the directions of internal electric fields in BTO and PTO layers are opposite. Internal electric field in PTO layer leads to polarization loss in this layer, but polarization in BTO layer is enhanced by internal electric field.

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Dianchi Advanced Materials Forum 2013

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Periodical:

Advanced Materials Research (Volume 833)

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3-7

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.833.3

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Online since:

November 2013

Authors:

Zhen Ye Zhu, Jing Bai, Fei Lu, Qian Wang

Keywords:

First Principle Calculation, Period-5 Superlattice, Polarization

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© 2014 Trans Tech Publications Ltd. All Rights Reserved

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