First-Principles study of 180° Domain walls in BaTiO3 The Arising of Bloch-and Néel-like Characters

来源 :第十八届全国凝聚态理论与统计物理学术会议 | 被引量 : 0次 | 上传用户：cheng8023jiajia

【摘要】

：

The 180° ferroelectfic domain walls (FDWs) have long been regarded as purely Ising-type in ferroelectrics, but recent theoretical works suggested that they can

【作者】

：

李梦蕾

【机构】

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清华大学

【出处】

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第十八届全国凝聚态理论与统计物理学术会议

【发表日期】

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2014年7期

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The 180° ferroelectfic 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 180° FDWs on different crystallographic planes in prototypical ferroelectric perovskite BaTiO3.

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First-Principles study of 180° Domain walls in BaTiO3 The Arising of Bloch-and Néel-like Characters

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