Polarization and Strong Infrared Activity in Compressed Solid Hydrogen
Polarization and Strong Infrared Activity in Compressed Solid Hydrogen
Under a pressure of $\ensuremath{\simeq}150\mathrm{GPa}$ solid molecular hydrogen undergoes a phase transition accompanied by a dramatic rise in infrared absorption in the vibron frequency range. We use the Berry's phase approach to calculate the electric polarization in several candidate structures finding large, anisotropic dynamic charges and strongly IR-active vibron modes. …