Group Theory Analysis to Study Phase Transitions of Quasi-2D Sr<sub>3</sub>Hf<sub>2</sub>O<sub>7</sub>

Group Theory Analysis to Study Phase Transitions of Quasi-2D Sr<sub>3</sub>Hf<sub>2</sub>O<sub>7</sub>

We present an <i>ab-initio</i> study performed in the framework of density functional theory, group-subgroup symmetry analysis and lattice dynamics, to probe the octahedral distortions, which occur during the structural phase transitions of the quasi-2D layered perovskite Sr<sub>3&...

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Bibliographic Details
Main Authors: Estelina Lora da Silva, Adeleh Mokhles Gerami, P. Neenu Lekshmi, Michel L. Marcondes, Lucy V. C. Assali, Helena M. Petrilli, Joao Guilherme Correia, Armandina M. L. Lopes, João P. Araújo
Format: Article
Language:English
Published: MDPI AG 2021-03-01
Series:Nanomaterials
Subjects:
new functional quasi-2D materials
energy harvesters
density functional theory
Ruddlesden Popper perovskites
Online Access:https://www.mdpi.com/2079-4991/11/4/897

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https://www.mdpi.com/2079-4991/11/4/897

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