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First principle study on structural, elastic and electronic properties of cubic BiFeO3

โœ Scribed by Yaakob, M.K.; Taib, M.F.M.; Deni, M.S.M.; Chandra, Amreesh; Lu, L.; Yahya, M.Z.A.


Book ID
120441667
Publisher
Elsevier Science
Year
2013
Tongue
English
Weight
577 KB
Volume
39
Category
Article
ISSN
0272-8842

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The structural, optical and elastic properties of cubic HfO 2 were studied using the plane-wave ultrasoft pseudopotential technique based on the first-principles density-functional theory (DFT). The groundstate properties such as lattice parameter and bulk modulus were calculated and these results a