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Simultaneous Realization of High Dielectric Constant and Ultrahigh Quality Factor in SrTiO<sub>3</sub> via a Tunable Grain Growth Strategy

Yuhang Zhang, Guoxiang Zhou, Yanzhao Zhang, Meiling Yang, Kunpeng Lin, Zhe Zhao, Yunpeng He, Ning Xie, Zhihua Yang, Dechang Jia, Yu Zhou

2025ACS Applied Materials & Interfaces6 citationsDOI

Abstract

In high-performance dielectric ceramics, grain boundaries are the primary reason attributed to microwave dielectric losses; therefore, increasing grain size to reduce their density effectively enhances dielectric properties. Although ion doping shows promising modification effects, how to control the grain size by ion codoping has been barely investigated due to the unclear nucleation and growth mechanism. Previous ion doping did not precisely control the grain size of the dielectric ceramic owing to its high nucleation density and low grain boundary mobility, typically resulting in sub-20 μm grains. In this study, combining the effect of Al/Ta codoped SrTiO 3 (ST- x AT, x = 0–0.1) microwave dielectric ceramics, anomalous crystal nucleation and growth were observed. To confirm the grain size effect on optimizing the dielectric properties, the prolonged sintering process was implemented to further increase the grain size of the Al/Ta codoped ceramics, which other doping strategies fail to replicate. Consequently, the average grain size of the obtained Al/Ta codoped SrTiO 3 is 4 times greater than existing cases. When ST-0.02AT was sintered at 1550 °C for 8 h, the outstanding dielectric properties of Q × f ∼ 10,681 GHz (at 3.3 GHz) were achieved, representing a 268% improvement compared to the undoped sample ( Q × f ∼ 2901 GHz) while maintaining a high dielectric constant ε r ∼ 258.01. Meanwhile, the intrinsic factors and growth mechanism of dielectric properties were explained by applying the P–V–L theory and density functional theory calculations to analyze chemical bond characteristics and electronic structures. These results not only provide a promising avenue for achieving tunable properties of high dielectric constant ceramics but also shed light on understanding the crystal nucleation and growth control mechanism of codoping dielectric ceramics.

Topics & Concepts

Materials scienceDielectricNucleationGrain boundaryGrain sizeDopingGrain growthCeramicHigh-κ dielectricSinteringCrystal (programming language)MicrowaveDielectric lossCondensed matter physicsDensity functional theoryOptoelectronicsComposite materialIonPerovskite (structure)Crystal growthElectronic engineeringFerroelectric and Piezoelectric MaterialsMicrowave Dielectric Ceramics SynthesisElectronic and Structural Properties of Oxides