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.
Original language | English |
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Pages (from-to) | 3555-3561 |
Number of pages | 7 |
Journal | Inorganic Chemistry |
Volume | 62 |
Issue number | 8 |
DOIs | |
State | Published - Feb 27 2023 |
Funding
This work was financially supported by the Natural Science Foundation of Xinjiang Autonomous Region (no. 2021D01C098), the central government guides local scientific and technological development projects of Xinjiang Autonomous Region (no. ZYYD2023A05), the National Natural Science Foundation of China (no. 22278348), the Natural Science Foundation of Xinjiang Autonomous Region (no. 2022D01D05), the National Natural Science Foundation of China (no. 52162023), and the Natural Science Foundation of Xinjiang Autonomous Region (no. 2021D01C093). This work was supported, in part, by National Science Foundation Grant DMR-1748188. H.W. acknowledges the support of the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, Powertrain Materials Core Program. Oak Ridge National Laboratory is managed by UT-Battelle LLC under Contract DE-AC05000OR22725.
Funders | Funder number |
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Xinjiang Autonomous Region | ZYYD2023A05 |
National Science Foundation | DMR-1748188 |
U.S. Department of Energy | |
Oak Ridge National Laboratory | |
Natural Science Foundation of Xinjiang Province | 2021D01C098 |
Wind Energy Technologies Office | |
UT-Battelle | DE-AC05000OR22725 |
National Natural Science Foundation of China | 22278348, 52162023, 2021D01C093, 2022D01D05 |