Abstract: The band structure, electronic density of states, phonon dispersion, phonon density of states, and electron-phonon coupling in CsI under high pressure were explored via planewave pseudopotential method based on density functional theory. Thus, the physical origin of the superconductivity of CsI under pressure has been probed. The theoretical results suggest that the in\|plane optical vibrational modes couple strongly with electrons, resulting in the observed superconductivity in CsI. 

Key words: high pressure, superconductivity, CsI