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首页> 外文期刊>Physica status solidi, B. Basic research >Electronic structure and X-ray spectra of the system SiC-(Al, Ti, C)
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Electronic structure and X-ray spectra of the system SiC-(Al, Ti, C)

机译：SiC-（Al，Ti，C）体系的电子结构和X射线光谱

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摘要

The method of local coherent potential within the framework of the multiple scattering theory has been applied to calculate the electronic structure of solid solutions Si1-xCRx (x = 0.25; R = C, Al, Ti) with zinc-blende lattice. Within the same approximation the comparison of the electronic structure of the considered solid solutions with one of the binary analogues is carried out. The calculated partial local densities of electronic states are compared with experimental X-ray spectra of Si in the compounds. The analysis of the electronic structures of the investigated solid solutions testifies the delocalisation of resonance states inherent to the binary compounds, that can be an evidence of the weakening of chemical bonds in the solid solutions in question. [References: 7]
机译：多重散射理论框架内的局部相干势方法已被用于计算具有亮闪锌矿晶格的固溶体Si1-xCRx（x = 0.25; R = C，Al，Ti）的电子结构。在相同的近似值下，将所考虑的固溶体的电子结构与二元类似物之一进行比较。将计算出的电子态局部局部密度与化合物中Si的实验X射线光谱进行比较。对所研究的固溶体的电子结构的分析证明了二元化合物固有的共振态的离域化，这可能是所讨论的固溶体中化学键减弱的证据。 [参考：7]

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