Thermal and Electronic Properties of Ba₂MnSe₃

Abstract

The structural, thermal, and electronic properties of Ba2MnSe3 were investigated. Analysis of the low-temperature heat capacity revealed a low Debye temperature and a low average speed of sound that, together with the bonding in this material, result in a low thermal conductivity over a relatively large temperature range. Density functional theory and calculated electron localization were employed to investigate the electronic structure and bonding. Absorption and photoluminescence spectroscopy measurements corroborated our calculations and revealed a direct band gap of 1.75 eV. This study expands on our understanding of the physical properties of this material and reveals previously unascertained properties, the knowledge of which is imperative for any potential application of interest.

Crystal growth of ternary metal sulfides from an open melt: Ba2MnS3

“…25 It has also recently been reported that Ba 2 MnSe 3 exhibits low thermal conductivity over a broad temperature range. 26 Given the unconventional properties which emerge from this structural motif, our selected material to showcase the capabilities of this innovative synthetic methodology is Ba 2 MnS 3 , a quasi-1D chain magnet with an undetermined magnetic ground state.…”