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Published in 2019 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2019.e00402
Abstract: Abstract The structural, electronic, elastic, mechanical, thermodynamic and optical properties of LuPtBi half-Heusler compound have been demonstrated thoroughly in this study for the first time using DFT-based calculations implemented in the CASTEP code. The optimized…
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Keywords:
electronic elastic;
first principles;
structural electronic;
thermodynamic optical ... See more keywords