Analysis Prepared Using Super-ionic Conductor ?ZrO₂?_x?Bi₂O₃?_1-x?x=1.0,0.97? And Thermal Diffuse Scattering Intensity Solid Phase Method

To determine the crystal structure and atomic thermal vibration of ZrO2 and(ZrO2)0.97(Bi2O3)0.03,a crystal structure model was established.Through X-ray diffraction experiments,the powder crystal was refined for crystal structure.First,nano-zirconia ZrO2 and(ZrO2)0.97(Bi2O3)0.03 powder crystals were prepared by the co-precipitation method and high-temperature solid-phase sintering method.Secondly,X-ray diffraction experiments(XRD)were performed on the two samples,and the crystal structure was analyzed using the Rietveld refinement method.The parameters of the crystal structure and the isotropic temperature factor B of the atomic thermal vibration were obtained.The MEM analysis method was used to obtain the visualization map of the contoured electron density distribution of powder crystals(ZrO2)x(Bi2O3)1-x(x=1.0,0.97).The result:The unit cell volume of(ZrO2)0.97(Bi2O3)0.03 is larger than that of ZrO2,which is 140.6850 A3 and 140.5637A3,respectively;the atomic thermal vibration isotropic temperature factor of ZrO2 crystals B(Zr),Bo(1),Bo(2)and B(Bi)are 0.690,0.269,0.178 and 0A2;(ZrO2)0.97(Bi2O3)0.03 crystals are 0.460,0.583,0.121 and 0.581A2,respectively.Determine that the crystal structure of(ZrO2)0.97(Bi2O3)0.03 belongs to the monoclinic crystal system,realize the three-dimensional(3D)and two-dimensional(2D)visual maps of constant high electron density distribution,determine the crystal structure and atomic position,and prove the crystal structure model.Finally,according to the general theoretical equation of the full diffraction back-ground intensity,the heat diffusion scattering intensity equation of the ZrO2 powder crystal is expanded to the eighth nearest neighbor,and the thermal vibration-related effect value between each atom is obtained by comparing the theoretical value and the experimental value,resulting in heat diffusion The main reason for the intensity of the scattering intensity is the thermal vibration from the Zr atom.The most influential shape of the thermal diffuse scattering vibration is the effective value of the thermal vibration between the neighboring atoms Zr-Zr atoms.