Strained BiFeO$_{3}$ Films: Rhombohedral-Orthorhombic and Rhombohedral-Tetragonal Phase Transitions. Part I: Phase-Field Simulations

ORAL

Abstract

In this study, the strain-temperature phase stability diagrams of (001) BiFeO$_{3}$ thin film were constructed using both thermodynamic analysis and phase-field simulations. The predicted diagram reveals a tetragonal to distorted rhombohedral phase boundary around 4.3{\%} compressive strain and rhombohedral to orthorhombic boundary at around 2{\%} tensile strain, both at room temperature. The predicted transition temperatures for rhombohedral-orthorhombic and rhombohedral-tetragonal transitions are in reasonable agreement with experimental observations. We will also discuss domain structure evolutions of BiFeO$_{3}$ thin films during the above two transitions from phase-field simulations.

*This work was supported by the DOE Basic Science under the grant No. DOE DE-FG02-07ER46417

–

Authors

  • Guang Sheng

    • Department of Materials Science and Engineering, The Pennsylvania State University

  • Jingxian Zhang

    • Department of Materials Science and Engineering, The Pennsylvania State University

  • Zi-Kui Liu

    • Department of Materials Science and Engineering, The Pennsylvania State University

  • Long-Qing Chen

    • Department of Materials Science and Engineering, The Pennsylvania State University
    • Pennsylvania State University, University Park, Pennsylvania 16802, USA
    • Penn State University

  • Yulan Li

    • Pacific Northwest National Laboratory