Cd1-xMnxTe固溶体的显微硬度和热力学稳定性

K. S. Dremliuzhenko, I. Yuriychuk, Z. Zakharuk, V. Deibuk
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摘要

研究了Cd1-xMnxTe(0.02x0.55)固溶体晶体的熔合和生长特征,以及其显微硬度与组成的关系。实验发现显微硬度在x = 0.14和0.46处出现局部最大值。考虑了δ -晶格参数模型中Cd1-xMnxTe形成的热力学,并得到了这些固溶体中旋量分解的相图。利用经验赝势方法分析了Cd1-xMnxTe固溶体形成过程中价电子密度的分布及其对化学键重排的影响。研究表明,固溶体的稳定性不仅取决于CdTe和MnTe二元化合物晶格常数的差异,还取决于不同离子度键间的电荷交换和化学键性质的变化。
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Specific features of microhardness and thermodynamic stability of the Cd1–xMnxTe solid solutions
The features of fusion and growth of Cd1–xMnxTe (0.02 x  0.55) solid solution crystals as well as the dependence of their microhardness on the composition have been studied. Local maxima of the microhardness at x = 0.14 and 0.46 have been experimentally found. Thermodynamics of Cd1–xMnxTe formation in the delta-lattice parameter model has been considered, and the phase diagram of spinodal decomposition in these solid solutions has been found. The empirical pseudopotential method was used to analyze the distribution of the valence charge density during formation of the Cd1–xMnxTe solid solution and its effect on the rearrangement of chemical bonds. It has been shown that the stability of the solid solutions is defined not only by the difference in the lattice constants of the CdTe and MnTe binary compounds but also by the charge exchange between bonds with the different degree of ionicity and the change in the nature of chemical bonds.
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