Enhancement in optical absorption of CsI(Na)

Discussions pertaining to enhancement in the luminous efficiency of cesium iodide(CsI)detectors doped with sodium(Na)abound.In this study,the defect structure of one Cs atom replaced by one Na atom is calculated using the ab initio method.Subsequently,the electronic band structures,densities of states,optical absorption spectra,phonons,and transport properties of CsI in perfect and defective structures are investigated.The absorption spectra of CsI with and without Na impurities are compared.It is discovered that the impurity levels in the forbidden band are generated from the shell electron distributions of the impurity atoms,not from lattice distortions.Furthermore,it is discovered that the optical absorption can be enhanced by doping CsI with Na.