Phase transition and thermoelectric properties of cubic KNbO3 under pressure: DFT approach

Phase transition and thermoelectric properties of cubic KNbO3 under pressure: DFT approach

In present study, the effect of pressure on the electronic, thermoelectric and optical properties of cubic KNbO3 compound is investigated using Predew-Burke-Ernzerhofgeneralized gradient approximation (PBE + GGA) in the framework of density functional theory. At 0 GPa, the calculated electronic band...

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Bibliographic Details
Main Authors: Muhammad Yaseen, Mehwish Khalid Butt, Amna Ashfaq, Javed Iqbal, Maha M. Almoneef, Misbah, Munawar Iqbal, Adil Murtaza, A. Laref
Format: Article
Language:English
Published: Elsevier 2021-03-01
Series:Journal of Materials Research and Technology
Subjects:
PBE+GGA
Band gap
Optical properties
Electrical conductivity
Figure of merit
Online Access:http://www.sciencedirect.com/science/article/pii/S2238785421001447

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http://www.sciencedirect.com/science/article/pii/S2238785421001447

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