Peculiarity of metal–insulator transition due to composition change in the semiconducting TiCo1− xNixSb solid solution: I. Electronic structure calculations

LP Romaka, MG Shelyapina, YV Stadnyk… - Journal of alloys and …, 2006 - Elsevier
LP Romaka, MG Shelyapina, YV Stadnyk, D Fruchart, EK Hlil, VA Romaka
Journal of alloys and compounds, 2006Elsevier
The Korringa–Kohn–Rostoker Green's function method within the coherent-potential
approximation was applied to calculate the electronic properties of recently synthesised
semi-Heusler TiCo1− xNixSb solid solution. As evidenced parallel from electrical resistivity
measurements, the calculations confirm a semiconductor type behaviour for TiCoSb
compound and a metallic type one for alloys containing Ni. The electronic conductivity was
found to originate from the d-electrons of Ti, Co and Ni, mainly.
The Korringa–Kohn–Rostoker Green's function method within the coherent-potential approximation was applied to calculate the electronic properties of recently synthesised semi-Heusler TiCo1−xNixSb solid solution. As evidenced parallel from electrical resistivity measurements, the calculations confirm a semiconductor type behaviour for TiCoSb compound and a metallic type one for alloys containing Ni. The electronic conductivity was found to originate from the d-electrons of Ti, Co and Ni, mainly.
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