Electronic structure and band gap modulation of Ba–S compounds via tuned hybrid functional calculations

Materials Advances 2026 Open access

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Authors: Sumbal Jamshaid, Hidetoshi Miyazaki, Koji Kimura, Koichi Hayashi, Peter Wellmann
DOI: 10.1039/d6ma00113k
Cited by: 1
References: 47

Abstract

Phase-pure BaS, BaS 2 , and BaS 3 thin films were synthesized and their band gaps characterized. HSE06 calculations with a tuned HFSCREEN parameter reveal a symmetry-driven screening trend across the Ba–S series.

Fields of Study & Subjects

Heusler alloys: electronic and magnetic properties Iron-based superconductors research Chalcogenide Semiconductor Thin Films

Publication details

Journal / source
Materials Advances
Publisher
Royal Society of Chemistry (RSC)
Volume
7
Issue
14
Pages
7271–7281
Publication date
1 January 2026
Language
EN