Experimental and computer-modeling studies of spectral properties of crystalline AgCl doped with metal bismuth or bismuth chloride are performed. Broad near-IR luminescence band in the 0.8--1.2mkm range with time dependence described by two exponential components corresponding to the lifetimes of 1.5 and 10.3mks is excited mainly by 0.39--0.44mkm radiation. Computer modeling of probable Bi-related centers in AgCl lattice is performed. On the basis of experimental and calculation data a conclusion is drawn that the IR luminescence can be caused by Bi^+ ion centers substituted for Ag^+ ions.
A comparative first-principles study of possible bismuth-related centers in TlCl and CsI crystals is performed and the results of computer modeling are compared with the experimental data. The calculated spectral properties of the bismuth centers suggest that the IR luminescence observed in TlCl:Bi is most likely caused by Bi--Vac(Cl) centers (Bi^+ ion in thallium site and a negatively charged chlorine vacancy in the nearest anion site). On the contrary, Bi^+ substitutional ions and Bi_2^+ dimers are most likely responsible for the IR luminescence observed in CsI:Bi.
Subvalent bismuth centers (interstitial $Bi^{+}$ ion, Bi$_5^{3+}$ cluster ion, and Bi$_4^0$ cluster) are examined as possible centers of broadband near-IR luminescence in bismuth-doped solids on the grounds of quantum-chemical modeling and experimental data.
Experimental and theoretical studies of spectral properties of crystalline TlCl:Bi are performed. Two broad near-infrared luminescence bands with a lifetime about 0.25 ms are observed: a strong band near 1.18 mkm excited by 0.40, 0.45, 0.70 and 0.80 mkm radiation, and a weak band at > 1.5 mkm excited by 0.40 and 0.45 mkm radiation. Computer modeling of Bi-related centers in TlCl lattice suggests that Bi^+__V^-(Cl) center (Bi^+ in Tl site and a negatively charged Cl vacancy in the nearest anion site) is most likely responsible for the IR luminescence.
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 is performed. A comparison of calculated spectral properties of the centers with the experimental data on luminescence emission and excitation spectra suggests that luminescence in the 1.2-1.3 $mu$m and 1.8-3.0 $mu$m ranges in Bi$_2$O$_3$-GeO$_2$ glasses and crystals is likely caused by $=$Bi$cdots$Ge$equiv$ and $=$Bi$cdots$Bi$=$ centers, respectively, and the luminescence near 1.1 $mu$m in Bi$_2$O$_3$-Al$_2$O$_3$-GeO$_2$ glasses and crystals may be caused by $=$Bi$cdots$Ge$equiv$ center with (AlO$_4$)$^-$ center in the second coordination shell of Ge atom.
The effects of hydrogen incorporation into beta-Ga2O3 thin films have been investigated by chemical, electrical and optical characterization techniques. Hydrogen incorporation was achieved by remote plasma doping without any structural alterations of the film; however, X-ray photoemission reveals major changes in the oxygen chemical environment. Depth-resolved cathodoluminescence (CL) reveals that the near-surface region of the H-doped Ga2O3 film exhibits a distinct red luminescence (RL) band at 1.9 eV. The emergence of the H-related RL band is accompanied by an enhancement in the electrical conductivity of the film by an order of magnitude. Temperature-resolved CL points to the formation of abundant H-related donors with a binding energy of 28 +/- 4 meV. The RL emission is attributed to shallow donor-deep acceptor pair recombination, where the acceptor is a VGa-H complex and the shallow donor is interstitial H. The binding energy of the VGa-H complex, based on our experimental considerations, is consistent with the computational results by Varley et al [J. Phys.: Condens. Matter, 23, 334212, 2011].