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Synthesis and ab initio calculations of nanolaminated (Cr,Mn)_2AlC compounds

机译:纳米层状(Cr,Mn)_2AlC化合物的合成与从头算

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摘要

We present an ab initio theoretical analysis of the temperature-dependent stability of inherently nanolaminated (Cr_(1-x)Mn_x)_2AlC. The results indicate energetic stability over the composition range x = 0.0 to 0.5 for temperatures≥600 K. Corresponding thin film compounds were grown by magnetron sputtering from four elemental targets. X-ray diffraction in combination with analytical transmission electron microscopy, including electron energy-loss spectroscopy and energy dispersive x-ray spectroscopy analysis, revealed that the films were epitaxial (000l)-oriented single-crystals with x up to 0.16.
机译:我们提出了从头开始的理论研究,即固有地纳米层压(Cr_(1-x)Mn_x)_2AlC的温度依赖性稳定性。结果表明,对于温度≥600K,在组成范围x = 0.0至0.5时,能量稳定。通过磁控溅射从四个元素靶标生长了相应的薄膜化合物。 X射线衍射结合分析型透射电子显微镜,包括电子能量损失光谱和能量色散X射线光谱分析,表明该膜是外延(000l)取向的单晶,x最高为0.16。

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