Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 4 of 4
Full-Text Articles in Engineering
Orientations Of Low-Energy Domain Walls In Perovskites With Oxygen Octahedral Tilts, Fei Xue, Yijia Gu, Linyun Liang, Yi Wang, Long-Qing Chen
Orientations Of Low-Energy Domain Walls In Perovskites With Oxygen Octahedral Tilts, Fei Xue, Yijia Gu, Linyun Liang, Yi Wang, Long-Qing Chen
Materials Science and Engineering Faculty Research & Creative Works
Many applications of ferroic materials, such as data storage and spintronics, are achieved through the control and manipulation of their domain wall (DW) orientations and configurations. Here we propose a rotational compatibility condition to identify low-energy DWs in perovskites with oxygen octahedral tilt instability. It is derived from the strong DW energy anisotropy arising from the rigidity and corner-sharing feature of the octahedral network. We analyze quantitatively the DWs in SrTiO3 and explain successfully the unusual ferroelectric DW width and energy in BiFeO3.
First-Principles Study Of 180⁰ Domain Walls In Batio₃: Mixed Bloch-Néel-Ising Character, Menglei Li, Yijia Gu, Yi Wang, Long-Qing Chen, Wenhui Duan
First-Principles Study Of 180⁰ Domain Walls In Batio₃: Mixed Bloch-Néel-Ising Character, Menglei Li, Yijia Gu, Yi Wang, Long-Qing Chen, Wenhui Duan
Materials Science and Engineering Faculty Research & Creative Works
The 180⁰ ferroelectric domain walls (FDWs) have long been regarded as purely Ising type in ferroelectrics, but recent theoretical works suggested that they can also have Néel- and/or Bloch-like rotations. Using a combination of first-principles calculations with phase-field simulations, we studied the 180⁰ FDWs on different crystallographic planes in prototypical ferroelectric perovskite BaTiO3. The polarization profiles of 180 FDWs on (100) and (410) planes revealed that the (100)- and (410)-FDWs both exhibit Néel-like character besides their intrinsic Ising character, while the (410)-FDW also simultaneously shows a Bloch-like oblique of ~6 nm, as a consequence of the deviation of …
Monoclinic Phases Arising Across Thermal Inter-Ferroelectric Phase Transitions, Yijia Gu, Fei Xue, Shiming Lei, Tom T. A. Lummen, Jianjun Wang, For Full List Of Authors, See Publisher's Website.
Monoclinic Phases Arising Across Thermal Inter-Ferroelectric Phase Transitions, Yijia Gu, Fei Xue, Shiming Lei, Tom T. A. Lummen, Jianjun Wang, For Full List Of Authors, See Publisher's Website.
Materials Science and Engineering Faculty Research & Creative Works
Thermotropic phase boundaries (TPBs), as thermal analogs of morphotropic phase boundaries (MPBs), are associated with the thermal inter-ferroelectric phase transitions. Similar to an MPB, a TPB exhibits a characteristically flattened energy profile which favors polarization rotation, thus giving rise to a structurally bridging low-symmetry phase. We report on the kinetic process of thermal inter-ferroelectric phase transitions in BaTiO3 and KNbO3 using the phase-field method. The domain structures are found to play key roles in stabilizing the monoclinic phase. In simple domain structures, the monoclinic phase is a transient phase and cannot be stabilized into its neighboring phase regimes. …
Flexoelectricity And Ferroelectric Domain Wall Structures: Phase-Field Modeling And Dft Calculations, Yijia Gu, Menglei Li, Anna N. Morozovska, Yi Wang, Eugene A. Eliseev, For Full List Of Authors, See Publisher's Website.
Flexoelectricity And Ferroelectric Domain Wall Structures: Phase-Field Modeling And Dft Calculations, Yijia Gu, Menglei Li, Anna N. Morozovska, Yi Wang, Eugene A. Eliseev, For Full List Of Authors, See Publisher's Website.
Materials Science and Engineering Faculty Research & Creative Works
We show that flexoelectric effect is responsible for the non-Ising character of a 180° ferroelectric domain wall. The wall, long considered being of Ising type, contains both Bloch- and Néel-type polarization components. Using the example of classic ferroelectric BaTiO3, and by incorporating the flexoelectric effect into a phase-field model, it is demonstrated that the flexoelectric effect arising from stress inhomogeneity around the domain wall leads to the additional Bloch and Néel polarization components. The magnitudes of these additional components are two or three magnitudes smaller than the Ising component, and they are determined by the competing depolarization and flexoelectric fields. …