Thermal and Electronic Properties of Ba 2 MnSe 3 .

Autor: Ojo OP; Department of Physics, University of South Florida, Tampa, Florida 33620, United States., Gunatilleke WDCB; Department of Physics, University of South Florida, Tampa, Florida 33620, United States., Biacchi AJ; Nanoscale Device Characterization Division, National Institute of Standards and Technology (NIST), Gaithersburg, Maryland 20899, United States., Wang H; Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States., Nolas GS; Department of Physics, University of South Florida, Tampa, Florida 33620, United States.
Jazyk: angličtina
Zdroj: Inorganic chemistry [Inorg Chem] 2023 Feb 27; Vol. 62 (8), pp. 3555-3561. Date of Electronic Publication: 2023 Feb 15.
DOI: 10.1021/acs.inorgchem.2c04048
Abstrakt: The structural, thermal, and electronic properties of Ba 2 MnSe 3 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.
Databáze: MEDLINE