First-principles investigation of structural, electronic, mechanical, and optical properties of Tl-based halide perovskites (TlXF3; X = Ti, Zr) for reflective coating applications

First-principles investigation of structural, electronic, mechanical, and optical properties of Tl-based halide perovskites (TlXF3; X = Ti, Zr) for reflective coating applications

The pursuit of advanced materials to address global energy challenges has directed attention to halide perovskites, known for their promising technological applications. In this study, we investigate the structural, electronic, elastic, and optical properties of Tl-based fluoro-perovskites TlXF3 (X ...

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Bibliographic Details
Main Authors: Amina, Maryam Liaqat, Salhah Hamed Alrefaee, Muhammad Inam Ul Haq, Dilsora Abduvalieva, Naseem Akhter, Vineet Tirth, Ali Algahtani, Amnah Mohammed Alsuhaibani, Moamen S. Refat, N.M.A. Hadia
Format: Article
Language:English
Published: Elsevier 2025-08-01
Series:Electrochemistry Communications
Subjects:
Density functional theory (DFT)
Half-metallic
Spintronics
Reflective coatings
UV-blocking
Online Access:http://www.sciencedirect.com/science/article/pii/S1388248125000906
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