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Published in 2022 at "Symmetry"
DOI: 10.3390/sym14102067
Abstract: A high-throughput approach to determine the equilibrium shape of a crystal by brute force is impractical due to the vast number of density functional theory (DFT) calculations required along just a single crystallographic direction. We…
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Keywords:
low energy;
surface energy;
energy;
rapid geometric ... See more keywords