High sintering and dielectric performance:The improved(Mg,Zn)_(3)B_(2)O_(6) ceramics with the help of the DFT calculation

With the help of the first principle calculation,the solid-state reaction experiment was conducted to investigate the alteration in the sintering and the microwave dielectric properties of Mg_(3)B_(2)O_(6)ceramic with many Zn^(2+)substitutions.These properties were characterized using the scanning electron microscopy,network analyzer,X-ray diffraction,Raman spectroscopy,energy-dispersive spectroscopy,and thermomechanical and differential-thermal analyses.The coexistence of Mg_(3)B_(2)O_(6),Mg_(2)B_(2)O_(5)and ZnO ceramics could be observed with increasing Zn^(2+)addition,and the lattice distortion occurred in the Mg_(2)B_(2)O_(5)and Mg_(3)B_(2)O_(6)ceramics due to the substitution of Mg^(2+)with Zn^(2+).The electron density and the bond property of the MgO_(6)octahedron changed,and a quantitative method was used to discuss the variation in sintering,substitution and phase formation properties.The densification window was decreased to 1100℃,and the dielectric properties improved with the formation of a three-phase borate solid solution(dielectric constant=6.73,quality factor=112,000 GHz at 16 GHz(Q=7000),temperature coefficient of resonant frequency=-61.2 ppm℃^(-1),and relative density=97.0%).

All-dielectric terahertz metasurface for linearly-polarized multichannel transmission and superposition states of spherical and vortex waves

Compared to pure vortex waves,the superposition state of spherical waves and vortex waves has enough degrees of freedom to upgrade applications in particle manipulation,information encryption,and large-capacity communications.Here,we propose a new scheme to achieve superposition states and multichannel transmission of vortex and spherical waves.Two transmissive all-silicon metasurfaces that enable mutual interference between linearly polarized(LP)waves in the terahertz region are demonstrated.Type A can achieve interference between x and y polarized waves,while type B can achieve interference between x(or y)and x(or y)polarized waves.The multichannel transmission and superposition states of topological charges of+3,+2,and+4 are designed and demonstrated from theoretical,simulative,and experimental perspectives at 1.1 THz.In addition,the objective fact that the focused superposition state must be observed close to the focal plane is also revealed.The measured results are in good agreement with the theoretical and simulative results.This work provides an idea for the design of ultrathin terahertz devices and could be applied in the fields of information encryption and highfrequency communications.

Amelioration of sintering and multi-frequency dielectric properties of Mg_(3)B_(2)O_(6):A mechanism study of nickel substitution using DFT calculation

With the support of density functional theory(DFT)calculation,the amelioration of sintering and dielectric properties of the Mg_(3)B_(2)O_(6)(MBO)ceramic was realized through the substitution of magnesium with nickel.The TE-mode cylindrical cavity method was used to measure the dielectric properties at different frequencies.The thermo-mechanical analysis and simultaneous thermal analysis were used to characterize the chemical and mechanical properties.The phase composition was determined through the X-ray diffraction(XRD)and Raman spectrum.The microstructure was investigated using the scanning electron microscopy(SEM).Magnesium substitution with nickel(4 mol%)could ionize the B-0 bond of BO3,modify the vibration mode,improve the order degree,densify the microstmcture,decrease the intrinsic densification temperature,and ameliorate the dielectric properties of the MBO ceramics.The maximum values were achieved for the ceramics with 4 mol%nickel and sintered at 1175℃,that is,97.2%for relative density,72,600 GHz(10 GHz),75,600 GHz(11.4 GHz),and 92,200 GHz(15 GHz)for Q×f,7.1(10 GHz),7.01(11.4 GHz),and 6.91(15 GHz)for£r,and-56.3 ppm/℃ for if.