Theoretical study of raman and infrared active vibrational modes in highly compressed solid hydrogen

Kazutaka Nagao, Hitose Nagara

Research output: Contribution to journalArticlepeer-review

17 Citations (Scopus)

Abstract

The Raman and infrared active vibrational modes in solid hydrogen at mbar pressures have been studied, using first-principles methods, and assuming hcp lattices of the molecular centers and several patterns of molecular orientations. The midlying phonon mode whose frequency reaches about 1900 cm−1at 200 GPa and the frequency difference between the in-phase and out-of-phase vibronic modes are in good agreement with the experiments, which suggests that the lattice of the solid hydrogen is hcp even beyond the phase transition at 150 GPa, and the molecules are canted from the c axis.

Original languageEnglish
Pages (from-to)548-551
Number of pages4
JournalPhysical Review Letters
Volume80
Issue number3
DOIs
Publication statusPublished - 1998 Jan 1
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)

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