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首页> 外文期刊>Advanced Functional Materials >Origin of a Tetragonal BiFeO_3 Phase with a Giant c/a Ratio on SrTiO_3 Substrates
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Origin of a Tetragonal BiFeO_3 Phase with a Giant c/a Ratio on SrTiO_3 Substrates

机译：SrTiO_3衬底上具有较大c / a比的四方BiFeO_3相的起源

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摘要

A tetragonal BiFeO_3 phase with giant c/a of approximately 1.25 has been of great interest recently as it potentially possesses a giant polarization and much enhanced electromechanical response. This super-tetragonal phase is known to be a stable phase only under high compressive strains of above approximately 4.5%, according to first principle calculations. However, in previous work, this super-tetragonal BiFeO_3 phase was obtained in films deposited at high growth rate on SrTiO_3 substrates with compressive strain of only around 1.5%. By detailed structure analysis using high resolution synchrotron X-ray diffraction, atomic force microscopy, and transmission electron microscopy, the parasitic /3-Bi_2O_3 phase is identified as the origin inducing the formation of super-tetragonal BiFeO_3 phase on SrTiO_3 substrates. In addition, ab initio calculations also confirm that this super-tetragonal phase is more stable than monoclinic phase when Bi_2O_3 is present. Using Bi_2O_3 as a buffer layer, an alternative route, not involving strain engineering, is proposed to stabilize this promising super-tetragonal BiFeO_3 phase at low growth rates.
机译：具有大约1.25的巨大c / a的四方BiFeO_3相近来引起了人们的极大兴趣，因为它可能具有巨大的极化和大大增强的机电响应。根据第一原理计算，已知该超四方相仅在高于约4.5％的高压缩应变下才是稳定相。但是，在以前的工作中，这种超四方晶BiFeO_3相是在高生长速率下以仅1.5％左右的压缩应变沉积在SrTiO_3衬底上的薄膜中获得的。通过使用高分辨率同步加速器X射线衍射，原子力显微镜和透射电子显微镜进行详细的结构分析，可以确定寄生/ 3-Bi_2O_3相是引起SrTiO_3衬底上形成超四方BiFeO_3相的起源。此外，从头算也可以确定当存在Bi_2O_3时，该超四方相比单斜相更稳定。使用Bi_2O_3作为缓冲层，提出了一种不涉及应变工程的替代方法，以在低生长速率下稳定这种有前途的超四方BiFeO_3相。

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  • 来源
    《Advanced Functional Materials》 |2012年第5期|p.937-942|共6页
  • 作者

    Huajun Liu; Ping Yang; Kui Yao; Khuong Phuong Ong; Ping Wu; John Wang;

  • 作者单位

    Department of Materials Science and Engineering National University of Singapore Singapore 117574, Singapore,Institute of Materials Research and Engineering A*STAR (Agency for Science, Technology and Research) Singapore 117602, Singapore;

    Singapore Synchrotron Light Source National University of Singapore 5 Research Link, 117603, Singapore;

    Institute of Materials Research and Engineering A*STAR (Agency for Science, Technology and Research) Singapore 117602, Singapore;

    Institute of High Performance Computing 1 Fusionopolis Way,# 16-16 Connexis, Singapore 138632, Singapore;

    Institute of High Performance Computing 1 Fusionopolis Way,# 16-16 Connexis, Singapore 138632, Singapore,Singapore University of Technology and Design,20 Dover Drive, Singapore 138682, Singapore;

    Department of Materials Science and Engineering National University of Singapore Singapore 117574, Singapore;

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