Structures and optical properties of solid hydrogen at ultrahigh pressures

• Published in: Физика низких температур
• Date: 2003
• Main Author: Hitose Nagara
• Format: Article
• Language: English
• Published: Фізико-технічний інститут низьких температур ім. Б.І. Вєркіна НАН України 2003
• Subjects: High-Pressure Studies
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/128912
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Structures and optical properties of solid hydrogen at ultrahigh pressures / Hitose Nagara // Физика низких температур. — 2003. — Т. 29, № 9-10. — С. 947-950. — Бібліогр.: 12 назв. — англ.

We have studied the electronic energy bands for the structures whose primitive cell contains up to four molecules, with full optimization of the structures, based on the GGA and LDA band calculations. Above 250 GPa, the eventual optimal structure obtained by the GGA or the LDA calculation is Cmca, w...