Search results for "Crystallographic defect"
showing 10 items of 182 documents
Using the methods of radiospectroscopy (EPR, NMR) to study the nature of the defect structure of solid solutions based on lead zirconate titanate (PZ…
2014
The nature of intrinsic and impurity point defects in lead zirconate titanate (PZT) ceramics has been explored. Using electron paramagnetic resonance (EPR), nuclear magnetic resonance (NMR), and X-ray photoelectron spectroscopy (XPS) methods, several impurity sites have been identified in the materials, including the Fe 3+ -oxygen vacancy (VO) complex and Pb ions. Both of these centers are incorporated into the PZT lattice. The Fe 3+ -V paramagnetic complex serves as a sensitive probe of the local crystal field in the ceramic; the symmetry of this defect roughly correlates with PZT phase diagram as the composition is varied from PbTiO 3 to PbZrO 3 . NMR spectra 207 Pb in PbTiO 3 , PbZrO 3 ,…
The nature of the defect structure of solid solutions based on lead zirconate titanate (PZT): Evidence from EPR and NMR
2013
The nature of intrinsic and impurity point defects in lead zirconate titanate (PZT) ceramics has been explored. Using electron paramagnetic resonance (EPR) and nuclear magnetic resonance (NMR) methods several impurity sites have been identified in the materials, including Fe3+-oxygen vacancy (VO) complex and Pb ions. Both of these centers are incorporated into the PZT lattice. The Fe3+-VO paramagnetic complex serves as a sensitive probe of the local crystalline field in the ceramic; the symmetry of this defect is roughly correlated with PZT phase diagram as composition is varied from PbTiO3 to PbZrO3. NMR spectra 207Pb in PbTiO3, PbZrO3 and PZT with iron content from 0 to 0.4 mol % showed t…
Role ofH2Oin the thermal annealing of theEγ′center in amorphous silicon dioxide
2009
The model for the annealing of a radiation-induced point defect in silica, the ${\text{E}}_{\ensuremath{\gamma}}^{\ensuremath{'}}$ center, is identified in the temperature range $(150--550)\ifmmode^\circ\else\textdegree\fi{}\text{C}$. Thermal treatments in controlled atmospheres of water vapor, oxygen, or helium of irradiated amorphous silicon dioxide are carried out. Direct experimental evidences that the annealing of the ${\text{E}}_{\ensuremath{\gamma}}^{\ensuremath{'}}$ center is caused by a reaction with diffusing water molecules are found. A rate equation system describing this annealing process is inferred, and its solutions are compared with experimental data to obtain quantitative …
First-principles calculations of iodine-related point defects in CsPbI3
2019
Many thanks to A. Lushchik, A. Popov and R. Merkle for numerous fruitful discussions. This study was partly supported by the Latvian Council for Science (grant LZP-2018/1-0147 to EK). R.A.E acknowledges the assistance of the University Computer Center of Saint-Petersburg State University for high-performance computations.
The structural properties of GaN insertions in GaN/AlN nanocolumn heterostructures.
2009
The strain state of 1 and 2.5 nm thick GaN insertions in GaN/AlN nanocolumn heterostructures has been studied by means of a combination of high resolution transmission electron microscopy, Raman spectroscopy and theoretical modeling. It is found that 2.5 nm thick GaN insertions are partially relaxed, which has been attributed to the presence of dislocations in the external AlN capping layer, in close relationship with the morphology of GaN insertions and with the AlN capping mechanism. The observed plastic relaxation in AlN is consistent with the small critical thickness expected for GaN/AlN radial heterostructures.
Band Gap Engineering and Trap Depths of Intrinsic Point Defects in RAlO3 (R = Y, La, Gd, Yb, Lu) Perovskites
2021
The work was supported by the Polish National Science Centre (Project No. 2018/31/B/ST8/00774), by the NATO SPS Project G5647, and by the Ministry of Education and Science of Ukraine (Project DB/Kinetyka no. 0119U002249). L.V. acknowledges support of the National Research Foundation of Ukraine under Grant No. 2020.02/0373 “Crystalline phosphors’ engineering for biomedical applications, energy saving lighting and contactless thermometry”. Researchers from Tartu were supported by the ERDF fundings in Estonia granted to the Centre of Excellence TK141 “Advanced materials and high-technology devices for sustainable energetics, sensorics and nanoelectronics (HiTechDevices)” (Grant No. 2014-2020.4…
Ab initio calculations of charged point defects in GaN
2005
The Generalized Gradient Approximation (GGA) of a Density Functional Theory (DFT) in LCAO basis is used to determine electronic structure of charged point defects in hexagonal GaN. Impurities of MgGa, ZnGa, SiN and CN (the most common dopants) were considered for charge states 0, ±1, –2. The vacancies of VGa and VN were considered for charge states 0 and 0, ±1, ±2 respectively. The defects in consideration are compared from the point of view of the one-electron states localization. All the calculations were performed for a supercell containing 96 atoms. The divergence due to periodically repeated charges has been eliminated by the use of a uniform background charge of an opposite sign. (© 2…
Polyamorphic transformation induced by electron irradiation ina-SiO2glass
2009
We report a study by electron paramagnetic resonance of amorphous silicon dioxide $(a{\text{-SiO}}_{2})$ irradiated by 2.5 MeV electrons in the dose range from $1.2\ifmmode\times\else\texttimes\fi{}{10}^{3}$ to $5\ifmmode\times\else\texttimes\fi{}{10}^{6}\text{ }\text{kGy}$. By measuring the change in the splitting of the primary $^{29}\text{S}\text{i}$ hyperfine doublet of the ${E}_{\ensuremath{\gamma}}^{\ensuremath{'}}$ centers we evidenced an irradiation induced local (around the defects) densification of $a{\text{-SiO}}_{2}$. Our data show that the local degree of densification of the materials is significantly higher than that obtained by mean density measurements, suggesting that the …
Point Defects, Dielectric Relaxation and Conductivity in Ferroelectric Perovskites
2000
In all ferroelectric perovskites, intentionally introduced or “unwanted” point defects do play a role in the dielectric spectra and in the conductivity.
Irradiation temperature effects on the induced point defects in Ge-doped optical fibers
2017
We present an experimental investigation on the combined effects of temperature and irradiation on Ge-doped optical fibers. Our samples were X-ray (10 keV) irradiated up to 5 kGy with a dose rate of 50 Gy(SiO2)/s changing the irradiation temperature in the range 233-573 K. After irradiation we performed electron paramagnetic resonance (EPR) and confocal microscopy luminescence (CML) measurements. The recorded data prove the generation of different Ge related paramagnetic point defects and of a red emission, different from that of the Ge/Si Non-Bridging Oxygen Hole center. Furthermore, by comparing the behaviour of the EPR signal of the Ge(1) as a function of the irradiation temperature with…