CAJ | 학술논문

论文采用X射线衍射实验考察了BaF2晶体在室温（296K）和低温（20K）下的晶体结构，以RI-ETAN-2000程序对实验结果进行了Rietveld解析得到了不同温度下BaF2的晶体结构参数以及原子热振动各向同性温度因子，此外，论文还通过对实验结果的MEM解析获得了BaF2晶体的等高电子密度分布图谱，实现了等高电子密度分布的可视化。
논문채용X사선연사실험고찰료BaF2정체재실온（296K）화저온（20K）하적정체결구，이RI-ETAN-2000정서대실험결과진행료Rietveld해석득도료불동온도하BaF2적정체결구삼수이급원자열진동각향동성온도인자，차외，논문환통과대실험결과적MEM해석획득료BaF2정체적등고전자밀도분포도보，실현료등고전자밀도분포적가시화。
In this paper,the crystal structure of BaF2 was tested by X-ray diffraction(XRD)at room temperature (296K)and low temperature(20K)respectively. The crystal structure parameters and the isotropic temperature factor of atomic thermal vibration were obtained with Rietvled analytical method which was carried out in the RIETAN-2000 program. In addition,the XRD result was analyzed with MEM method and the electron density distribution were shown in the form of equal pitch contour clearly which realized the visualization of the distribution of electron density.