First-principles structural, elastic and optoelectronics study of sodium niobate and tantalate perovskites

First-principles structural, elastic and optoelectronics study of sodium niobate and tantalate perovskites

Abstract The intensified quest for efficient materials drives us to study the alkali (Na)-based niobate (NaNbO3) and tantalate (NaTaO3) perovskites while exploiting the first-principles approach based on density functional theory, coded within WIEN2K. While using the Birch Murnaghan fit, we find the...

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Bibliographic Details
Main Authors: Shaukat Ali Khattak, Saikh Mohammad Wabaidur, Md Ataul Islam, Mudasser Husain, Irfan Ullah, Syed Zulfiqar, Gul Rooh, Nasir Rahman, Muhammad Salman Khan, Gulzar Khan, Tahirzeb Khan, Benabdellah Ghlamallah
Format: Article
Language:English
Published: Nature Portfolio 2022-12-01
Series:Scientific Reports
Online Access:https://doi.org/10.1038/s41598-022-26250-7

Internet

https://doi.org/10.1038/s41598-022-26250-7

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