A[A 6 Ch][Si 12 P 20 ] (A = Sr, Ba; Ch = S, Se, Te): achieving a wide band gap in pnictides by constructing [A 6 Ch] octahedral ionic units
Abstract
First A–M–Pn–Ch pnictides A[A 6 Ch][Si 12 P 20 ] (A = Sr, Ba; Ch = S, Se, Te) with interpenetrated topology show wide band gaps (1.91–2.27 eV). The wide gap arises from [A 6 Ch] octahedral units promoting charge localization and suppressing metallicity.
Fields of Study & Subjects
Inorganic Chemistry and Materials
Iron-based superconductors research
Crystal Structures and Properties
Publication details
- Journal / source
- Chemical Science
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 17
- Issue
- 25
- Pages
- 12541–12550
- Publication date
- 1 January 2026
- Language
- EN