Prediction of Novel High-Pressure Structures of Magnesium Niobium Dihydride

Chuanzhao Zhang, Guoliang Sun, Jingjing Wang, Cheng Lu, Yuanyuan Jin, Xiaoyu Kuang, Andreas Hermann

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Pages (from-to)26169-26176
Number of pages8
JournalACS Applied Materials & Interfaces
Issue number31
Publication statusPublished - 14 Jul 2017


  • density functional theory,electronic structures,magnesium niobium dihydride,particle swarm optimization algorithm,structural transition

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