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cond-mat.mtrl-sci2024
Exploration of stable atomic configurations in graphene-like BCN systems by Bayesian optimization
Taichi Hara, Akira Kusaba, Yoshihiro Kangawa +4
h-BCN is an intriguing material system where the bandgap varies considerably depending on the atomic configuration, even at a fixed composition. Exploring stable atomic configurati…
cond-mat.mtrl-sci2024★ 3 cited
Augmentation of the Electron Counting Rule with Ising Model
Karol Kawka, Pawel Kempisty, Konrad Sakowski +4
On semiconductor growth surfaces, surface reconstructions appear. Estimation of the reconstructed structures is essential for understanding and controlling growth phenomena. In thi…