A Comprehensive First-Principles Investigation of SnTiO<sub>3</sub> Perovskite for Optoelectronic and Thermoelectric Applications

A Comprehensive First-Principles Investigation of SnTiO<sub>3</sub> Perovskite for Optoelectronic and Thermoelectric Applications

In this work, the structural, elastic, electronic, thermodynamic, optical, and thermoelectric properties of cubic phase SnTiO<sub>3</sub> employing first-principles calculation are examined. The calculations of all parameters via various potentials such as LDA, PBE-GGA, WC-GGA, PBEsol-GG...

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Bibliographic Details
Main Authors: Debidatta Behera, Mumtaz Manzoor, Ramesh Sharma, Mostafa M. Salah, Ivan Stich, Sanat Kumar Mukherjee
Format: Article
Language:English
Published: MDPI AG 2023-02-01
Series:Crystals
Subjects:
DFT
FP-LAPW
electronic properties
elastic properties
optical properties
thermoelectric properties
Online Access:https://www.mdpi.com/2073-4352/13/3/408

Internet

https://www.mdpi.com/2073-4352/13/3/408

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