Abstract:
The polycation Bi$_5^3+$ is one of the possible emitters of the broadband NIR
luminescence from optics materials doped by bismuth. The Bi$_5^3+$ lowest
excited states are calculated by the spin-orbit configuration interaction method.
These excited states are responsible for the optical absorption features in NIR,
visible and near UV spectral ranges. The numerical results are in good agreement
with the experimental data corresponding to the Bi$_5^3+$ absorption spectrum
in chloroaluminate melts. The existence of the lowest excited state with radiative
transition to the ground state in NIR is confirmed. Thus, the Bi$_5^3+$ polycation
can be a source of the broadband NIR emission in bismuth doped optical materials.
Keywords:quantum chemistry; Bismuth polications; spectroscopy; subvalent states.