Study of structural, electronic, optical and mechanical properties of K2ScCuF6 and K2YCuF6 perovskites via DFT calculations

Study of structural, electronic, optical and mechanical properties of K2ScCuF6 and K2YCuF6 perovskites via DFT calculations

Owing to their outstanding performance, environmental friendliness and stability, perovskite materials are becoming very important for solar cells, renewable energy sources and thermoelectric generators. This work uses the first-principles approach to explore the structural, electronic, optical and...

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Bibliographic Details
Main Authors: Amina, Muhammad Uzair, Amir Sohail Khan, A.M. Quraishi, Albandary Almahri, Mukhlisa Soliyeva, Vineet Tirth, Ali Algahtani, Abdullah, Rawaa M. Mohammed, Mahidur R. Sarker, N.M.A. Hadia, Abid Zaman
Format: Article
Language:English
Published: Elsevier 2024-07-01
Series:Results in Physics
Subjects:
Density Functional Theory
Pb-free Double perovskite
Opto-electronic properties
Elastic behaviors
Online Access:http://www.sciencedirect.com/science/article/pii/S2211379724005308

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http://www.sciencedirect.com/science/article/pii/S2211379724005308

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