Structural transformation relationship for hafnia ferroelectric phase

摘要：

　　The ferroelectricity of hafnia-based thin films with a dominant phase of orthorhombic Pea21 has been reported.However, the relationship of structural transformations between the orthorhombic Pca21 and other hafnia structures remains unclear.In this work, all the structures have been optimized.Then, the fluorite-related structures have been used to analyze the structural relationship.Calculations of the lattice energies and the relative atomic displacements between the structures suggest that the Pca21 phase may originate from the P42/nmc or Pbca phases.

关键词： Hafnia Ferroelectric phase Structural origin Stability

作者: Hai Zhu Xiao Fei Ye Da Yu Zhou Fei Ming Bai

作者单位: School of Materials Science and Engineering, Dalian University of Technology, 2 Linggong Road, Dalia School of Materials Science and Engineering, Dalian University of Technology, 2 Linggong Road, Dalia State Key Laboratory of Electronic Thin Films and Integrated Devices, University of Electronic Scien

会议类型: 国际会议

会议名称: The Eighth China National Conference on Functional Materials and Applications(第八届中国功能材料及其应用学术会议)

会议地点: 哈尔滨

会议语种:英文

页码: 865-870

在线出版日期: 2013-08-23（万方平台首次上网日期，不代表论文的发表时间）