An Ab Initio Analysis of Structural and Electronic Properties of Cubic SrSnO3

An Ab Initio Analysis of Structural and Electronic Properties of Cubic SrSnO3

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This article reports a theoretical study on structural and electronic properties of the cubic strontium stannate (SrSnO3) using periodic quantum-mechanics calculations within the Density Functional Theory method combined with B3LYP exchange-correlation functional, as implemented in the CRYSTAL14 co...

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Bibliographic Details
Main Authors: Marta Maria de Moura Bezerra, Marisa Carvalho Oliveira, Weber Duarte Mesquita, Amilton Brito da Silva Junior, Elson Longo, Maria Fernanda do Carmo Gurgel
Format: Article
Language:English
Published: Universidade Federal de Mato Grosso do Sul 2021-07-01
Series:Orbital: The Electronic Journal of Chemistry
Subjects:
DFT Calculations
Electronic Structure
Perovskite
Strontium Stannate (SrSnO3)
Online Access:https://periodicos.ufms.br/index.php/orbital/article/view/15604

Internet

https://periodicos.ufms.br/index.php/orbital/article/view/15604

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