Biacchi, A.
, Ojo, O.
, Gunatilleke, W.
and Nolas, G.
(2023),
Thermal and Electronic Properties of Ba2MnSe3, Inorganic Chemistry, [online], https://doi.org/10.1021/acs.inorgchem.2c04048, https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=935253
(Accessed October 1, 2025)
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Thermal and Electronic Properties of Ba2MnSe3
Published
Author(s)
, Oluwagbemiga Ojo, Wilarachchige Gunatilleke, George Nolas
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.Citation
Inorganic Chemistry
Volume
62
Issue
8
Pub Type
Journals
Download Paper
Keywords
Chalcogenides, Crystal structure, Electrical conductivity, Materials, Transition metals
Citation
Issues
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Created February 15, 2023, Updated February 27, 2023