Search results for "Impurity"
showing 10 items of 330 documents
Influence of complex impurity centres on radiation damage in wide-gap metal oxides
2016
Different mechanisms of radiation damage of wide-gap metal oxides as well as a dual influence of impurity ions on the efficiency of radiation damage have been considered on the example of binary ionic MgO and complex ionic–covalent $Lu_{3}Al_{5}O_{12}$ single crystals. Particular emphasis has been placed on irradiation with $\sim$2 GeV heavy ions ($^{197}Au, ^{209}Bi, ^{238}U$, fluence of 10$^{12}$ ions/cm$^{2}$) providing extremely high density of electronic excitations within ion tracks. Besides knock-out mechanism for Frenkel pair formation, the additional mechanism through the collapse of mobile discrete breathers at certain lattice places (e.g., complex impurity centres) leads to the c…
Theoretical and experimental study of primary radiation defects in KNbO3 perovskite crystals
2000
Abstract The results of large-scale computer simulations of point defects – F-type electron centers and hole polarons bound to a potassium vacancy – in perovskite KNbO3 crystals are presented. One-site polarons and two-site (molecular) polarons are expected to coexist, both are characterized by close absorption energies around 1 eV. The transient absorption spectra and decay kinetics observed after ns-pulsed electron beam irradiation have been measured for different KNbO3 crystals. The relaxation kinetics of the optical density vary considerably for different impurity concentrations and sample stoichiometries. Experimental data are discussed in the light of the presented calculations.
Ab initio modelling of titanium impurities in α-Fe lattice
2020
Abstract Reduced activation ferritic-martensitic (RAFM) as well as ferritic steels strengthened by yttrium oxide are considered as candidate materials for future fusion and advanced fission reactors. Addition of Ti during the manufacturing of the oxide dispersed strengthened (ODS) leads to the formation of yttrium titanium oxide particles, which size is smaller compared to yttrium oxide particles. This improves the mechanical properties and radiation resistance of the ODS steels. DFT calculations of Ti impurities have been performed to determine the factors contributing to the formation of the nanoparticles in α-Fe (bcc-Fe) based steels. The interaction energies between TiFe-OFe, TiFe-Ooct,…
Aggregation of Frenkel defects under irradiation: a mesoscopic approach
1994
The radiation-induced aggregation of Frenkel defects in solids is studied in terms of a mesoscopic approach. The asymmetry in elastic interactions between mobile interstitials (I-I) and between interstitials and vacancies (I-V) plays a decisive riile in the aggregation of similar defects. The conditions for defect aggregation are studied in detail for NaCl crystals. The critical dose rate for aggregation has been calculated as a function of the temperature as well as the aggregation rate as a function of temperature and dose rate. Furthermore, the r&e of deep traps (like impurities and di-vacancies), reducing the mobility of interstitials, and the r&le of dislocations serving as sinks for i…
Modeling of yttrium, oxygen atoms and vacancies in γ-iron lattice
2011
Abstract Development of the oxide dispersion strengthened (ODS) steels for fission and fusion reactors requires a deep understanding of the mechanism and kinetics of Y 2 O 3 nanoparticle precipitation in the steel matrix. Therefore, it is necessary to perform a large-scale theoretical modeling of the Y 2 O 3 formation. In the current study, a series of first-principles calculations have been performed on different elementary clusters consisting of pair and triple solute atoms and containing: (i) the Y–Fe-vacancy pairs, (ii) the two Y atoms substituted for Fe lattice atoms and (iii) the O impurity atoms dissolved in the steel matrix. The latter is represented by a face-centered cubic γ-Fe si…
The experimental observation of the potential barrier for self-trapped exciton decay into F-H pair in KCl-Na crystals
1995
Abstract The optical absorption induced by the electron pulse irradiation of Na+ doped KCl has been measured. Transient optical absorption band of FA centers was observed at 80 K (LNT). The temperature dependence of FA center formation was studied. It is proposed that the obtained activation energy originates from the potential barrier between the STE perturbed by the cation impurity and the nearest neighbour FA-H pair. The mechanism of the suppression of the defect formation by the monovalent cation impurity in alkali halide crystals is discussed.
ODMR of cd impurity centers in gg irradiated BaF2crystals
1995
Abstract The magnetic circular dichroism of the optical absorption (MCD), optically detected magnetic resonance (ODMR) as well as ESR and luminescence in Cd- doped BaF2 crystals γ-irradiated at RT were investigated. MCD signals centered at 295 nm, 290 nm and 365 nm are observed, together with corresponding radiation induced optical absorption bands in the same wavelength regions. The ODMR detected in all these bands is caused by hyperfine (hf) interaction of unpaired spin with Cd− nucleus. Three types of different Cd− related defects have been separated: 1) Cd+ c, represented by the MCD of derivative type centered at 295 nm and hf constant ACd = 480 mT, 2) Cd++c -center having lowered symme…
Radiation-induced electronic and ionic charge storage and release in sapphire
2002
Radiation-induced thermally stimulated relaxation (TSR) processes in the reduced α-Al 2 O 3 (sapphire) crystal were investigated at 290-650 K by means of the TS current (TSC), ionic depolarisation current (TSDC) and electron emission (TSEE) techniques. After thermal (ionic) polarisation of sapphire wide (∼75 K) and asymmetric ionic dipolar TSDC peak at T max 590 K (disorientation of the anion vacancy-related dipoles) was detected. This peak correlates with the wide TSEE peak at T max 615 K, the radiation-induced electrical degradation (RIED) yield rise above 550 K (T max 745 K) and the chromium emission line broadening ip ruby. Above 450-500 K the anion vacancy hopping (migration) starts. T…
Annealing of color centers in LiBaF 3
2002
Results of the glow rate technique to analyze the activation energy of thermostimulated annealing of X-ray created F -type color centers in LiBaF 3 crystals are presented, showing pure and containing oxygen centers. It is shown that depending on the impurity composition two alternative mechanisms are involved in the annealing of color centers. It is proposed that either the anion vacancy governed migration of F -centers resulting in recombination with complementary defects, or the thermal delocalization of radiation created fluorine ( F i ) interstitials captured by anti-structure defects followed by recombination with all kinds of complementary F -type centers are responsible for the recom…
Iron-related luminescence centers in ZnWO 4 :Fe
2002
A systematic spectroscopic study of single ZnWO4 :Fe crystals with different iron concentrations has been performed under excitation by ultraviolet light, by synchrotron radiation or under photostimulation by near-infrared light. The luminescence of Fe3+-related centres has been studied. It is shown that iron centres of different types efficiently promote the formation of crystal defects at low temperatures. Electrons and holes can be trapped near Fe2+ or Fe3+ ions, which is further revealed in phosphorescence, thermostimulated or photostimulated luminescence. At room temperature the main effect of iron impurity is to reduce the light yield of a ZnWO4 scintillator.