Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of δ-Bi2O3

Assessment of Functionals for First-Principle Studies of the Structural and Electronic Properties of δ-Bi2O3

Fully relativistic full-potential density functional calculations with an all-electron linearized augmented plane waves plus local orbitals method were carried out to perform a comparative study on the structural and electronic properties of the cubic oxide δ-Bi2O3 phase, which is considered as one...

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Bibliographic Details
Main Authors:	D. H. Galván, R. Núñez-González, R. Rangel, P. Alemany, A. Posada-Amarillas
Format:	Article
Language:	English
Published:	Wiley 2015-01-01
Series:	Advances in Condensed Matter Physics
Online Access:	http://dx.doi.org/10.1155/2015/120294
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