First-principles prediction of layered antiperovskite superconductors A2CNi4 (A = Al, Ga, and Sn)

First-principles prediction of layered antiperovskite superconductors A2CNi4 (A = Al, Ga, and Sn)

We theoretically designed and investigated the layered antiperovskite nickel carbides A2CNi4 with different A-site elements by using the first-principles calculation based on density functional theory (DFT). The calculated formation energies for a series of A-site elements show that Al2CNi4, Ga2CNi4...

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Bibliographic Details
Main Authors: D. F. Shao, W. J. Lu, S. Lin, P. Tong, H. B. Jian, X. Y. Pan, Y. P. Sun
Format: Article
Language:English
Published: AIP Publishing LLC 2012-12-01
Series:AIP Advances
Online Access:http://dx.doi.org/10.1063/1.4769882

Internet

http://dx.doi.org/10.1063/1.4769882

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