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Crystal structure and electronic properties of the new compounds U3Co12−xX4 with X=Si, Ge

✍ Scribed by A. Soudé; O. Tougait; M. Pasturel; D. Kaczorowski; H. Noël


Book ID
108195799
Publisher
Elsevier Science
Year
2010
Tongue
English
Weight
596 KB
Volume
183
Category
Article
ISSN
0022-4596

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The structural and electronic properties of X 3 As 4 (X ¼ C, Si, Ge and Sn) compounds were investigated using density functional theory (DFT) calculations. We employed both the generalized-gradient approximation (GGA), which is based on exchange-correlation energy optimization to calculate the total