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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Autori principali:	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
Natura:	Artigo
Lingua:	Inglês
Pubblicazione:	Elsevier 2025-08-01
Serie:	Electrochemistry Communications
Soggetti:	Density functional theory (DFT) Half-metallic Spintronics Reflective coatings UV-blocking
Accesso online:	http://www.sciencedirect.com/science/article/pii/S1388248125000906
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