First principles investigation of electronic and optical properties in the thio-apatites series Ba5(VO4−xSx)3X [X=F, Cl, Br, I]: Impact of multiple anionic substitution

Solid State Sciences 2026 Open access

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Authors: Smritijit Sen, Houria Kabbour
DOI: 10.1016/j.solidstatesciences.2026.108380
Cited by: 0
References: 38

Abstract

• Dual anion substitution (halide and O/S) enables precise band-gap tuning in thio-apatites. • Sulfur enhances visible-light absorption and optical anisotropy for light harvesting. • Triple-anion apatites show strong potential for tunable optoelectronics.

Fields of Study & Subjects

Crystal Structures and Properties Inorganic Chemistry and Materials Heusler alloys: electronic and magnetic properties

Publication details

Journal / source
Solid State Sciences
Publisher
Elsevier BV
Volume
179
Pages
108380–108380
Publication date
27 May 2026
Language
EN