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Stable structure of platinum carbides: A first principles investigation on the structure, elastic, electronic and phonon properties

โœ Scribed by Venu Mankad; Nikita Rathod; Sanjay D. Gupta; Sanjeev K. Gupta; Prafulla K. Jha


Book ID
113784241
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
824 KB
Volume
129
Category
Article
ISSN
0254-0584

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An investigation into the equation of state (EOS), electronic and elastic properties of Zr 2 SC has been conducted by first-principles pseudopotential calculations. The calculated EOS is well consistent with the recent experimental reports. The absence of band gap at the Fermi level and the finite v