Effects of F− substitution on crystal structure, band characteristics and microwave dielectric properties of Li3Mg2NbO6 ceramics for high frequency applications

Abstract

The structure–performance mechanism is essential to achieve comprehensive characteristics for advanced communication system. In the present work, F− ions were adopted to fabricated Li3Mg2NbO6-x/2Fx ceramics at a nitrogen atmosphere to modify dielectric characteristics. Correlation between bond characteristics, crystal structure and enhanced microwave dielectric characteristics was investigated through vibration analysis, P–V-L theory, Rietveld refinement, and First-principle calculations. Raman analysis and Rietveld refinement show that F− substitution led to a single phase. First-principle calculations indicates a high energy gap of 3.676 eV and p orbit contributed to Fermi energy. F− substitution led to the increase of Nb O bond ionicity and lattice energy, accounting for the variation in Q×f value and dielectric constant. The τf value was related to the expansion coefficient of the Li–O bond. Remarkably, the samples (x = 0.08) exhibited comprehensive dielectric characteristics with εr = 15.9, Q×f = 143,000 GHz and near-zero τf = −2.1 ppm/°C, proving an effective strategy for collaborative regulation. Based on structure simulation, 5G filter with ultra-low loss and high-suppression was designed through introducing transmission zeros from cross coupling. More specifically, a dielectric filter exhibited an interpolation loss of 0.2 dB at 3.3–3.6 GHz and high attenuations of 15 dB for 20 MHz outside the passband, verifying the feasibility for 5G applications.