Search results for "defect"
showing 10 items of 879 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 …
Fast-neutron-induced and as-grown structural defects in magnesium aluminate spinel crystals with different stoichiometry
2019
Abstract Several hole-type paramagnetic defects (a hole localized at a regular oxygen ion near charged structural defect/defects) have been revealed in fast-neutron-irradiated MgO⋅2.5Al2O3 single crystals using the EPR method. Three of them (a dominant V1 and small amount of V2 and V22) were recently revealed in a neutron-irradiated stoichiometric MgAl2O4, while a novel V4 center, ascribed to a hole in a form of O− ion nearby a complex of a magnesium vacancy and a positively charged antisite defect (V4 ≡ O–‑VMg‑Al|Mg), was created by fast neutrons only in a nonstoichiometric single crystal. The pulse annealing of the EPR signal of these centers was compared to that of radiation induced opti…
Study of the defects in La3Ta0.5Ga5.5O14 single crystals
2016
Abstract Defects that are formed during crystal growth pose a serious obstacle for potential application of La 3 Ga 5.5 Ta 0.5 O 14 (LGT) as a laser or piezoelectric crystal. We have performed the study of the defects origin in LGT crystals grown in different atmospheres using optical, EPR and time-resolved luminescence characterization methods. The absorption bands detected in the transparency region at 290, 360 and 490 nm ( T =300 K) demonstrate different dependence on crystal annealing in vacuum and air. EPR analysis demonstrated that the defects responsible for these bands are non-paramagnetic. X-ray irradiation results in hole trapping by oxygen ions thus forming O − centers perturbed …
Molecular dynamics investigation of the premelting effects of Lennard-Jones (111) surfaces
1987
Molecular dynamics simulations have been performed to study the premelting effects of noble-gas surfaces (argon) close to but below the bulk melting temperature. In particular, the increase of disorder as a function of temperature at (111) surface has been considered. The truncated Lennard-Jones (6-12) potential is used to describe the interactions between particles. Surface premelting has been analyzed by means of total energies, trajectory plots, mean sequare displacement functions, diffusion coefficients, vacancy concentrations and two-dimensional order parameters. The (111) surface starts to disorder by vacancy formation, which leads to the premelting of the surface layer far below the …
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.
Density functional study of gold atoms and clusters on a graphite (0001) surface with defects
2006
Adsorption of gold atoms and clusters $(N=6)$ on a graphite (0001) surface with defects has been studied using density functional theory. In addition to perfect graphite (0001), three types of surface defects have been considered: a surface vacancy (hole), a pyridinelike defect comprising three grouped nitrogen atoms, and a substitutional doping by N or B. Results for Au and ${\mathrm{Au}}_{6}$ indicate that the surface vacancy can form chemical bonds with Au as the three nearby carbons align their dangling bonds towards the gold particle (binding energy 2.4--$2.6\phantom{\rule{0.3em}{0ex}}\mathrm{eV}$). A similar chemically saturated holelike construction with three pyridinic N atoms resul…
Physical Fundamentals of Biomaterials Surface Electrical Functionalization
2020
This article is focusing on electrical functionalization of biomaterial&rsquo
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.