.png){kind=icon}
返回
Structural Evolution in BiNbO4
.png){kind=icon}
OA
AI
DOI：10.1021/acs.inorgchem.1c00149.png)
.png){kind=icon}
.png){kind=icon}
分享.png){kind=icon}
收藏
摘要
En 中文
The sequence of transitions between different phases of BiNbO4 has been thoroughly investigated and clarified using thermal analysis, high-resolution neutron diffraction, and Raman spectroscopy. The theoretical optical phonon modes of the a-phase have been calculated. Based on thermoanalytical data supported by density functional theory (DFT) calculations, the beta-phase is proposed to be metastable, while the alpha- and gamma-phases are stable below and above 1040 degrees C, respectively. Accurate positional parameters for oxygen positions in the three main polymorphs (alpha, beta, and gamma) are presented and the structural relationships between these polymorphs are discussed. Even though no significant changes, only relaxation phenomena, are observed in the dielectric behavior of alpha-BiNbO4 below 1000 degrees C, evidence of two further subtle transitions at similar to 350 and 600 degrees C is presented through careful analysis of structural parameters from variable temperature neutron diffraction measurements. Such phase variations are also evident in the phonon modes in Raman spectra and supported by changes in the thermoanalytical data. These subtle transitions may correspond to the previously proposed antiferroelectric to ferroelectric and ferroelectric to paraelectric phase transitions, respectively.
Keyword:
CRYSTAL-STRUCTURE
SINGLE-CRYSTALS
THIN-FILMS
CERAMICS
FERROELECTRICS
SHIFT
AI总结
对已上传原文的论文进行重点信息的提取，主要内容包括：简要概述、研究摘要、背景介绍、关键亮点、图文解析、展望与总结。
期刊
IF:
4.7
论文数:
4.9W
被引数:
10.5W
机构
引用论文
Oxygen-vacancy-related low-frequency dielectric relaxation and electrical conduction in Bi:SrTiO3.png)
PHYSICAL REVIEW B
PHYSICAL REVIEW BIF3.7
PREAI
分享收藏QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials量子浓缩咖啡: 用于材料量子模拟的模块化开源软件项目OAAI
OAAI分享收藏
分享收藏Improvements in the sintering and microwave properties of BiNbO4 microwave ceramics by V2O5 addition
PREAI
分享收藏
查看更多内容