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First-principle study of bismuth-related oxygen-deficient centers($=$Bi$\cdots$Ge$\equiv$, $=$Bi$\cdots$Si$\equiv$, and $=$Bi$\cdots$Bi$=$oxygen vacancies) in Bi$_2$O$_3$-GeO$_2$, Bi$_2$O$_3$-SiO$_2$,Bi$_2$O$_3$-Al$_2$O$_3$-GeO$_2$, and Bi$_2$O$_3$-Al$_2$O$_3$-SiO$_2$ hosts isperformed. A comparison of calculated spectral properties of the centers withthe experimental data on luminescence emission and excitation spectra suggeststhat luminescence in the 1.2-1.3 $\mu$m and 1.8-3.0 $\mu$m ranges inBi$_2$O$_3$-GeO$_2$ glasses and crystals is likely caused by$=$Bi$\cdots$Ge$\equiv$ and $=$Bi$\cdots$Bi$=$ centers, respectively, and theluminescence near 1.1 $\mu$m in Bi$_2$O$_3$-Al$_2$O$_3$-GeO$_2$ glasses andcrystals may be caused by $=$Bi$\cdots$Ge$\equiv$ center with (AlO$_4$)$^-$center in the second coordination shell of Ge atom.

First-principle study of the near-IR luminescence centers in Bi2O3-GeO2 andBi2O3-SiO2 glasses