30/07/2026
📢 New Research Article Published in Physics Access
We are pleased to announce a new Research Article in Physics Access (Volume 6, Issue 2).
🔬 Title:
Halide-Induced Band Gap Modulation in RbPbCl₃₋ₓBrₓ Perovskites: Insights from a First-Principles Study
👤 Author:
Magaji Ismail
This study employs density functional theory (DFT) to investigate how bromine substitution influences the structural and electronic properties of inorganic halide perovskites RbPbCl₃₋ₓBrₓ. The calculations reveal that halide substitution significantly affects lattice parameters, bond lengths, unit cell volume, and mechanical stiffness.
Electronic structure analysis shows that all investigated compositions retain a direct band gap while the band gap decreases systematically from 2.22 eV to 1.21 eV as bromine concentration increases. Density of states analysis further explains the electronic contributions responsible for this tunable behaviour, highlighting the effectiveness of halide engineering.
These findings are relevant for the design and optimization of halide perovskite materials for optoelectronic and photovoltaic applications.
📄 Read the full article:
https://doi.org/10.47514/phyaccess.2026.6.2.011
Congratulations to the author on this important contribution to computational materials science, halide perovskites, and photovoltaic materials research.
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