Halogen-coordination-induced ductility enhancement transition and atomic-scale failure mechanisms in Ga-based double perovskites Cs2NaGaX6 (X = Cl, Br): A first-principles study

Computational Materials Science 2026

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Authors: Yuan Yin, Haoqin Xu, Jinpeng Li, Jinghong Zhao, Shaoqi Yang, Ranyu Meng, Gexia Yuan, Haomiao Ma, Feizhou Li

DOI: 10.1016/j.commatsci.2026.115041

Cited by: 1

References: 45

Fields of Study & Subjects

Perovskite Materials and Applications Heusler alloys: electronic and magnetic properties Thermal Expansion and Ionic Conductivity

References 45