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Structural, elastic, electronic and optical properties of a new layered-ternary Ta4SiC3 compound

✍ Scribed by M.S. Islam; A.K.M.A. Islam


Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
486 KB
Volume
406
Category
Article
ISSN
0921-4526

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We investigated the effect of aluminum vacancies (V Al ) on the structural, electronic and optical properties of Ta 4 Al 1 Γ€ x C 3 (x ΒΌ0, 0.25, 0.5, 0.75) based on the first-principle calculation using density functional theory. We found that the lattice constant a remains almost unchanged with the