Structural, electronic and optical studies of Sr2NiTeO6 double perovskite by first-principle DFT–LDA + U calculation

Structural, electronic and optical studies of Sr2NiTeO6 double perovskite by first-principle DFT–LDA + U calculation

The structural, electronic and optical properties of monoclinic Sr2NiTeO6 double perovskite have been studied using corrected density functional theory–local density approximation with applying of Hubbard U corrected energy (DFT–LDA + U) method in plane-wave pseudopotential basis. The influence of o...

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Bibliographic Details
Main Authors: F.I.H. Alias, M.H. Ridzwan, M.K. Yaakob, C.W. Loy, Z. Mohamed
Format: Article
Language:English
Published: Elsevier 2022-05-01
Series:Journal of Materials Research and Technology
Subjects:
Double perovskite
Density functional theory
Electronic band structure
Hubbard U
Optical properties
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785422003234

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