Structural, elastic, and vibrational properties of phase H: A first-principles simulation*

Project supported by the Key Laboratory of Earthquake Prediction, Institute of Earthquake Science, China Earthquake Administration (CEA) (Grant Nos. 2016IES010104 and 2012ES0408) and the National Natural Science Foundation of China (Grant Nos. 41174071, 41273073, 41373060, and 41573121).

Lv Chao-Jia1, Liu Lei1, 2, †, Gao Yang3, Liu Hong1, Yi Li1, Zhuang Chun-Qiang4, Li Ying1, 2, Du Jian-Guo1
       

(color online) Structures of phase H with and Pm symmetry. The hydrogen atoms are not located in the middle of two oxygen atoms in structure with Pm symmetry (right), however, hydrogen atoms in structure (left) are located on the right side in the middle of couples of oxygen atoms.