Inherent Properties and Phonon Characteristics of BaWO4 Single Phase Ceramic,Physica Status Solidi (B) - Basic Solid State Physics

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Inherent Properties and Phonon Characteristics of BaWO4 Single Phase Ceramic
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.5 ) Pub Date : 2020-11-10 , DOI: 10.1002/pssb.202000469
Feng Shi _{1,

2} , Guang-en Fu ₂

Affiliation

BaWO₄ ceramic is fabricated by conventional solid‐state reaction technique, and the intrinsic properties and the phonon characteristics of the ceramic are examined. The single‐phase BaWO₄ is found in a tetragonal crystal structure as confirmed by X‐ray diffraction. Scanning electron microscopy shows well‐crystallized grains and uniform grain arrangement with clear boundaries. Raman vibrational modes are assigned, and the atomic motions of the modes are elucidated using first‐principles calculations. The intrinsic properties of the ceramic are evaluated by using the infrared vibrational mode results in a four‐parameter semiquantitative model, and the theoretical values obtained using the model are found to be in good agreement with the measured values. This analysis reveals the dielectric response mechanism of single‐phase BaWO₄ ceramic. The contribution of each vibrational mode to the intrinsic properties is analyzed, and it is found that the E_u mode with a frequency of 102.02 cm⁻¹ makes the most important contribution to the dielectric properties.

中文翻译：

BaWO4单相陶瓷的固有性质和声子特性

通过常规的固态反应技术制备BaWO ₄陶瓷，并检查了陶瓷的固有性质和声子特性。单相BaWO ₄X射线衍射证实了四方晶体结构中存在的X射线。扫描电子显微镜显示结晶良好的晶粒和均匀的晶粒排列，边界清晰。分配了拉曼振动模式，并使用第一性原理计算阐明了这些模式的原子运动。通过在四参数半定量模型中使用红外振动模式结果评估陶瓷的固有性能，发现使用该模型获得的理论值与测量值非常吻合。该分析揭示了单相BaWO ₄陶瓷的介电响应机理。分析了每种振动模式对固有特性的贡献，发现E _u频率为102.02 cm ^-1的模式对介电性能做出了最重要的贡献。

更新日期：2020-11-10

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