不同温度下碲铟汞晶体结构的XRD研究

XRD Study of MIT Crystal Structure at Different Temperatures

通过X射线粉末衍射方法对大气环境下25-100℃条件下的碲铟汞晶体结构进行了研究。借助Rietveld方法,利用GSAS软件对碲铟汞晶体结构进行精修,并计算了其Hg空位浓度。结果表明,室温下碲铟汞晶体中由于Hg元素较易挥发而引入的Hg空位约占1.88%,晶格常数约为0.63163 nm;随着温度的升高,Hg的占位率逐渐降低,Hg空位的浓度有所提高;MIT的晶格常数呈现出先减小后增大的趋势。

The structure of MIT was studied by X-ray powder diffraction in ambient atmosphere at different temperatures from 25 ℃ to 100 ℃.The Rietveld method was employed to refine the structure and determine the concentration of Hg vacancy concentration.The results show that Hg vacancy concentration in MIT crystal introduced by high Hg vapor pressure is 1.88% at room temperature,and the lattice constant is about 0.63163 nm.As the temperature increasing,the concentration of Hg vacancy increases,and the lattice constant of MIT decreases first and then increases.