First-principles investigation of structural, electronic, optical, and elastic properties of TlPtF3 fluoroperovskite for optoelectronic applications

This study presents a comprehensive investigation of the structural, mechanical, electronic, and optical properties of the TlPtF3 compound, a thallium-based halide perovskite. Using density functional theory (DFT) within the CASTEP code, and considering both GGA and GGA+U approximations, we confirm...

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Bibliografische gegevens

Hoofdauteurs:	Abdelghafour El Mekkaouy, Rodouan Touti, Tahiri Abdellah, Chtita Samir, Jabar Abderrahim, Didi Youssef
Formaat:	Artigo
Taal:	Inglês
Gepubliceerd in:	Elsevier 2026-06-01
Reeks:	Chemical Thermodynamics and Thermal Analysis
Onderwerpen:	Density functional theory (DFT) Fluoroperovskite Electronic properties Optical properties Elastic properties
Online toegang:	http://www.sciencedirect.com/science/article/pii/S2667312626000544
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