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Theoretical study of the structural, elastic and electronic properties of the Ge X 2 O 4 ( X = Mg, Zn, Cd) compounds under pressure

✍ Scribed by Bouhemadou, A


Book ID
121005288
Publisher
Institute of Physics
Year
2008
Tongue
English
Weight
668 KB
Volume
16
Category
Article
ISSN
0965-0393

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The structural and electronic properties of X 3 As 4 (X ΒΌ 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