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First-principles calculations of vacancy effects on structural and electronic properties of TiC x and TiN x

โœ Scribed by Dridi, Z; Bouhafs, B; Ruterana, P; Aourag, H


Book ID
121504402
Publisher
Institute of Physics
Year
2002
Tongue
English
Weight
255 KB
Volume
14
Category
Article
ISSN
0953-8984

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## Abstract In the present work we report on the synthesis of typeโ€I clathrates Sr~8~Ga~16~Sn~__x__~Ge~30โ€‰โˆ’โ€‰__x__~ (0โ€‰โ‰คโ€‰__x__โ€‰โ‰คโ€‰12). To find out how the substitution of Sn for Ge affects structural stability and electronic structure, the structural and electronic properties for Sr~8~Ga~16~Sn~__x__~