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Electronic Structure and X-Ray Spectra of the System SiC–(Al, Ti, C)

✍ Scribed by V.V. Ilyasov; T.P. Zhdanova; I.Ya. Nikiforov; A.V. Ilyasov


Publisher
John Wiley and Sons
Year
2002
Tongue
English
Weight
91 KB
Volume
229
Category
Article
ISSN
0370-1972

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✦ Synopsis


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 Si 1--x CR x (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.

Metodom lokal#nogo kogerentnogo potenciala v ramkah teorii mnogokratnogo rasse¾ni¾ rassqitana +lektronna¾ +nergetiqeska¾ struktura tverdyh rastvorov karbida kremni¾ Si 1--x CR x (x = 0,25; R = C, Al, Ti) v almazopodobnoj modifikacii. V ramkah odnogo pribliweni¾ provedeno sravnenie +lektronnoj +nergetiqeskoj struktury rassmatrivaemyh tverdyh rastvorov v sopostavlenii s binarnymi analogami. Rassqitannye parcial#nye plotnosti +lektronnyh sosto¾nij sravnivaˇts¾ s +ksperimental#nymi rentgenovskimi spektrami kremni¾ v soedineni¾h. Analiz +lektronnyh struktur izuqennyh tverdyh rastvorov svidetel#stvuet o delokalizacii kvaziostovnyh rezonansnyh sosto¾nij, prisu §ih binarnym soedineni¾m, qto mowet svidetel#stvovat# ob oslablenii himiqeskoj sv¾zi v ukazannyh tverdyh rastvorah.


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