3 years ago

Computational assignments of lattice vibrations of ice Ic

Computational assignments of lattice vibrations of ice Ic
Zeng-Ji Zhao, Shu-kai Yao, Hao-Zhi Yang, Peng Zhang, Hui-Wen Luo, Ying-Bo Lu, Zhen-Yu Yuan
Herein, via the first-principles density functional theory, CASTEP code, we investigated the 15 vibrational normal modes of ferroelectric hydrogen-ordered phase of ice Ic and the two peaks of hydrogen bond are clarified.

Publisher URL: http://feeds.rsc.org/~r/rss/ra/~3/7MxxCVJ0sFo/C7RA04332E

DOI: 2017/RA/C7RA04332E

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