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

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

<p>This article reports a theoretical study on structural and electronic properties of the cubic strontium stannate (SrSnO<sub>3</sub>) using periodic quantum-mechanics calculations within the Density Functional Theory method combined with B3LYP exchange-correlation functional, as...

Full description

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:http://orbital.ufms.br/index.php/Chemistry/article/view/1603

Internet

http://orbital.ufms.br/index.php/Chemistry/article/view/1603

Similar Items