Nano-scale radiation effects in wide-gap crystals under irradiation by VUV photons

The creation spectra of F centres by synchrotron radiation of 5-35 eV have been measured for Na6Al6Si6O24(NaI)(2x) and Na6Al6Si6O24(NaBr)(2x) optical ceramics at 8 and 80 K. The exciting photons cause the excitation and ionization of halogen ions (6-8 eV) and of an aluminosilicate carcass (8.5-31 eV) or the excitation of Na+ ions (32-35 eV). An exciting photon of 20-26 and 27-31 eV creates two or three electron-hole pairs, respectively. Besides the electron-hole creation mechanism of F centres with the participation of pre-irradiation defects, the basic interstitial-vacancy creation mechanism of Frenkel defect pairs is realized in socialites at high doses of irradiation at 300 K. A Br-0 atom formed at the irradiation in a regular beta-cage can penetrate into a neighbouring cage. As a result, an F centre and a Br-2(-) molecule (H centre) are formed and the interdefect distance in this pair is about I nm. The efficiency of F-H pair creation is especially high under the conditions of multiplication of electron-hole pairs. In contrast to alkali halides the crowdion configuration of interstitials does not exist in sodalites and F-H pairs are stable up to 450 K

Creation of electronic excitations and defects by VUV radiation (6-40 eV) in wide-gap solids

The processes of multiplication of electronic excitations (MEE), connected with the creation of secondary excitons or electron-hole (e-h) pairs by hot conduction electrons, are realized in wide-gap metal halides and oxides. In oxides, secondary e-h pairs can be also formed by 27-40 eV photons due to L 1 VV Auger transitions (with the participation of 2s oxygen holes). The excitation spectra of luminescence and the creation spectra of electron F centres or hole V centres have been measured for Na 6 Al 6 Si 6 O 24 (NaI) 2x sodalites and MgO:Be, respectively, at 8-80 K. A high local density of excitations has been revealed under MEE conditions in KBr and Br sodalites with self-trapping excitons and holes

Electronic excitations and self-trapping of electrons and holes in CaSO 4

A first-principles study of the electronic properties of a CaSO4 anhydrite structural phase has been performed. A theoretical estimation for the fundamental band gap (p → s transitions) is Eg = 9.6 eV and a proper threshold for p → d transitions is Epd = 10.8 eV. These values agree with the data obtained for a set of CaSO4 doped with Gd3+, Dy3+, Tm3+ and Tb3+ ions using the methods of low-temperature highly sensitive luminescence and thermoactivation spectroscopy. The results are consistent with theoretical predictions of a possible low-temperature self-trapping of oxygen p-holes. The hopping diffusion of hole polarons starts above ~40 K and is accompanied by a ~50–60 K peak of thermally stimulated luminescence of RE3+ ions caused due to the recombination of hole polarons with the electrons localized at RE3+. There is no direct evidence of the self-trapping of heavy d-electrons, however, one can argue that their motion rather differs from that of conduction s-electrons