化学
正交晶系
拉曼光谱
结构精修
自然键轨道
电介质
微波食品加热
陶瓷
金红石
固溶体
分析化学(期刊)
温度系数
化学键
晶格能
结晶学
晶体结构
计算化学
密度泛函理论
材料科学
光学
物理
色谱法
量子力学
复合材料
有机化学
光电子学
作者
Hongyu Yang,Shuren Zhang,Hongcheng Yang,Xing Zhang,Enzhu Li
出处
期刊:Inorganic Chemistry
[American Chemical Society]
日期:2018-06-29
卷期号:57 (14): 8264-8275
被引量:125
标识
DOI:10.1021/acs.inorgchem.8b00873
摘要
Structure and microwave properties of xZn0.5Ti0.5NbO4-(1 - x)Zn0.15Nb0.3Ti0.55O2 ceramics in the range of x = 0.0-1.0 were investigated. Rietveld refinement analysis and Raman spectra show that rutile- and orthorhombic-type solid solutions formed at 0-0.2 and 0.65-1, a composite at 0.2-0.64. In the solid solution regions, chemical bonds are enlarged. In this case, the Zn/Ti/Nb-O1 bond covalency and bond susceptibility are reduced, and lattice energy and thermal expansion coefficient increase along with x increases, which is mainly responsible for the development of microwave dielectric properties. Furthermore, far-infrared spectra and a classical oscillator model were used to discuss the intrinsic dielectric properties in detail. Temperature stable ceramic was obtained for x = 0.516: εr ∼ 46.11, Q × f ∼ 27 031 GHz, and τf ∼ -1.51 ppm/°C, which is promising for microwave applications.
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