X射线衍射摇摆曲线的计算机模拟是一种获得材料晶体质量参量的有效方法,其中材料本征摇摆曲线的计算是计算机模拟的基础。用X射线动力学理论计算了Hg1-xCdxTe和Cd1-zZnzTe本征反射率曲线,并研究了组分、膜厚分别对本征反射率和半峰全宽的影响。结果表明Hg1-xCdTe和Cd1-zZnzTe的本征反射率和半峰全宽与材料组分和厚度有明显的依赖关系,且该依赖关系取决于X射线在材料中的散射和吸收的相对强弱。薄膜的厚度也是直接影响本征摇摆曲线峰形、半峰全宽和反射率的重要因素,当薄膜厚度小于穿透深度时,表征本征反射率曲线的各个参量均与薄膜厚度有直接的关系。对于(333)衍射面,碲镉汞材料厚度大于7 μm后,本征反射率和半峰全宽将不再发生明显变化。

The computer simulation of X-ray rocking curve is an important method for characterization for the semiconductor materials. The calculation of the intrinsic rocking curve is the foundation of its simulation. The intrinsic reflectivities of Hg1-xCdxTe and Cd1-zZnzTe materials are calculated by using X-ray dynamic theory and the effect of compositions and thicknesses on intrinsic reflectivities and full width at half maximum (FWHM) is studied. It is found that intrinsic reflectivities and FWHM of Hg1-xCdxTe and Cd1-zZnzTe materials depend on their compositions and thicknesses. The reflectivities and FWHM are determined by X-rays scattering and absorption in the materials. If the film thicknesses are smaller than penetration depth, the changes of the shape of the intrinsic rocking curves, intrinsic reflectivities and FWHM are also affected by theirs. If the thickness of Hg1-xCdxTe films is larger than 7 μm, the changes of the intrinisic reflectivities and FWHM of the (333) diffraction plane would be very small.