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H. Tatsumi

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Open access Aug 2026

Comparison of elastic constants and surface energies of β-Sn from density functional theory, universal machine learning potential, and empirical potentials

The full elastic constant tensor and the surface energies of five low-index planes—(100), (101), (110), (111), and (001)—of β-Sn (tetragonal, I41/amd) are calculated using density functional theory (DFT) with the Perdew–Burke–Ernzerhof (PBE) functional and a universal machine-learning interatomic potential (MLIP; Prefe...

H. Tatsumi, Atsushi M. Ito, Arimichi Takayama et al. · 0 citations

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