High-pressure synthesis of boron-rich chalcogenides B12S and B12Se

TL;DR

This study reports the high-pressure synthesis of boron-rich chalcogenides B12S and B12Se, confirming their structures and analyzing their vibrational properties through Raman spectroscopy and theoretical calculations.

Contribution

It is the first to synthesize B12S and B12Se under high-pressure conditions and to analyze their Raman spectra with theoretical mode assignment.

Findings

Successful synthesis of B12S and B12Se at high pressure

Confirmation of crystal structures via Rietveld refinement

First-time Raman spectra analysis and mode assignment

Abstract

Two boron-rich chalcogenides B12S and B12Se isostructural to {\alpha}-rhombohedral boron were synthesized by chemical reaction of the elements at high-pressure - high-temperature conditions. The crystal structures and stoichiometries of both compounds were confirmed by Rietveld refinement and elemental analysis. The experimental Raman spectra of B12S and B12Se were investigated for the first time. All observed Raman bands have been attributed to the theoretically calculated phonon modes, and the mode assignment has been performed.