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Published in 2021 at "Journal of Solid State Chemistry"
DOI: 10.1016/j.jssc.2020.121763
Abstract: Abstract In this paper, we study theoretically the structural, electronic, optical, elastic and thermoelectric properties of MgSc2X4 (X = S; Se) compounds using first-principles calculations. The calculated band structure reveals that MgSc2S4 and MgSc2Se4 are direct-gap semiconductors.…
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Keywords:
optical elastic;
structural electronic;
thermoelectric compounds;
electronic optical ... See more keywords