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Published in 2021 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2021.148948
Abstract: Abstract The metastable hexagonal-diamond phase of Si and Ge (and of SiGe alloys) displays superior optical properties with respect to the cubic-diamond one. Based on first-principle calculations we show that the surface energy of the…
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Keywords:
hexagonal diamond;
force formation;
thermodynamic driving;
diamond ... See more keywords
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Published in 2017 at "Journal of Experimental and Theoretical Physics"
DOI: 10.1134/s1063776117010125
Abstract: Structural stability and the possible pathways to experimental formation of lonsdaleite—a hexagonal 2H polytype of diamond—have been studied in the framework of the density functional theory (DFT). It is established that the structural transformation of…
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Keywords:
investigation formation;
formation lonsdaleite;
hexagonal diamond;
diamond ... See more keywords