Search results for "Vacancy defect"
showing 10 items of 178 documents
Crystallographic changes and thermal properties of lanthanum?strontium ferromanganites between RT and 700 �C
2005
Abstract X-ray powder diffraction was used to determine the crystallographic changes between room temperature (RT) and 700 °C of the (La 0.8 Sr 0.2 )(Mn 1− y Fe y )O 3± δ perovskites with y =0.2, 0.5, 0.8, 1 which can be considered as possible cathode materials for the ITSOFCs. For y =0.2, the rhombohedral symmetry was preserved in the whole temperature range. For y =1, a transition from orthorhombic to rhombohedral symmetry occurred at 290 °C. The compounds with y =0.5 and 0.8 were found to be diphasic at RT by combination of both rhombohedral and orthorhombic symmetries. They became only rhombohedral at 80 and 160 °C, respectively. This reversible transition is discussed in terms of iron …
Luminescence-detected EPR of oxygen-fluorine vacancy complexes in CaF2
2009
In several CaF2 single crystals grown by the Bridgman method and doped with CaO or in addition with SrF2 or NaF a luminescence band between 470 nm and 600 nm could be excited at 212 nm, its peak wavelength depending on the doping. With photo-luminescence (PL) detected EPR five spin triplet centres were identified. Their axial fine structure constants D varied from 87 mT to 690 mT whereby the most intense spectra had the smallest D value. Theoretical calculations of the fine structure tensors and superhyperfine interactions show that the most intense and probable triplet centre consists of a pair of an OF– on a F– site next to a nearest neighbour F– vacancy which, compared to the well-known …
Optically detected magnetic resonance investigation of oxygen luminescence centres in BaF2
2002
The structure of two oxygen-related luminescence centres in oxygen-doped BaF2 was investigated by means of photoluminescence (PL) and photoluminescence-detected electron paramagnetic resonance (PL-EPR). One of the oxygen-related luminescences peaking at 2.83 eV is associated with an excited triplet state (S = 1) of an oxygen–vacancy complex with the z-axis of the fine-structure tensor parallel to the 110 direction. This complex can be described as an oxygen on a fluorine lattice site with a next-nearest fluorine vacancy along the 110 direction. The luminescence at 2.25 eV is also associated with a triplet state. Its PL-EPR spectrum is probably due to oxygen–vacancy complexes with a nearest …
Optically detected magnetic resonance investigation of a luminescent oxygen–vacancy complex in Mn-doped LiBaF3
2006
The structure of an oxygen-related luminescence centre in manganese-doped LiBaF 3 was investigated by means of photoluminescence (PL) and PL-detected electron paramagnetic resonance. At 20 K an oxygen-related complex shows two luminescence bands peaking at about 430 and 475 nm, when excited at 220 nm. These bands can be attributed to an excited triplet state (S = 1) of an oxygen-vacancy complex with the z axis of the fine structure tensor parallel to the (110) direction. This complex is believed to be next to a Mn 2+ impurity on a Ba 2+ site and can be described as an oxygen on a fluorine lattice site with a nearest fluorine vacancy along the (110) direction.
Effect of impurities on Raman and photoluminescence spectra of AlN bulk crystals
2003
ABSTRACTRaman scattering and photoluminescence (PL) spectroscopy with sub-bandgap excitation has been applied to explore tracing of common impurities (in particular of oxygen) in AlN. Bulk AlN crystals grown by the high temperature sublimation method were studied. PL bands have been observed at around 375 nm and at 560–660 nm and have been attributed to oxygen and to nitrogen vacancy/aluminium excess defects, respectively. The 375 nm UV PL band was found to shift with oxygen concentration. Micro-Raman spectra of the bulk AlN samples were measured in different polarisations. Besides normal Raman modes of AlN the presence of additional vibrational modes was detected. The modes were discussed …
<title>Formation of deep acceptor centers in AlGaN alloys</title>
2008
AlGaN alloy thin film materials are of high interest for light emitting diodes (LED of the ultraviolet (UV) spectral region. Origin of the deep intrinsic and impurity Si states in the AlxGa1-xN (0 < x < 0.35) epilayer structures grown by metalorganic chemical vapor deposition (MOCVD) technique have been considered. Effects of the lattice mismatch and Si-doping in the heterostructures of epilayers with different alloy composition are investigated using time resolved photoluminescence (PL) of donor – deep acceptor (DA) pairs. It is shown that the undoped AlGaN alloys, grown on a GaN buffer layer, due to the lattice mismatch contain the increased concentration of cation vacancy (Vcation) defec…
Size-dependent photoemission shifts in small metal clusters
1986
Density-functional calculations of the change in self-consistent-field energy ( Delta SCF) type are reported for core-level photoemission shifts in small metal spheres. The results for the atom-in-jellium vacancy model show that the binding energies are increased from bulk-metal values, but the photoemission shifts show considerable oscillations as a function of cluster size.
Positron annihilation studies of binary Ni-based alloys
1987
Positron annihilation studies of Ni–1 at. % X (X = Pb, In and Zn) alloys have been performed. The experimentally observed changes in the parameters connecting the shape of angular correlation curve with the kind and concentration of crystal lattice defects are correlated with the values of the vacancy-solute binding energy calculated from the vacancy model of melting.
First-principles and semi-empirical calculations for bound hole polarons in KNbO3
1999
The ab initio linear muffin-tin-orbital (LMTO) formalism and the semi-empirical method of the Intermediate Neglect of the Differential Overlap (INDO) based on the Hartree-Fock formalism are combined for the study of the hole polarons (a hole trapped nearby the cation vacancy) in a cubic phase of KNbO3 perovskite crystals. The 40-atom and 320-atom supercells were used, respectively. We predict existence of both, one-site and two-site (molecular) polarons with close optical absorption energies (0.9 eV and 0.95 eV). The relevant experimental data are discussed.
Observation of a charge delocalization from Se vacancies inBi2Se3: A positron annihilation study of native defects
2016
By means of positron annihilation lifetime spectroscopy, we have investigated the native defects present in ${\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$, which belongs to the family of topological insulators. We experimentally demonstrate that selenium vacancy defects $({\text{V}}_{\text{Se1}})$ are present in ${\mathrm{Bi}}_{2}{\mathrm{Se}}_{3}$ as-grown samples, and that their charge is delocalized as temperature increases. At least from 100 K up to room temperature both ${\text{V}}_{\text{Se1}}^{0}$ and ${\text{V}}_{\text{Se1}}^{+}$ charge states coexist. The observed charge delocalization determines the contribution of ${\text{V}}_{\text{Se1}}$ defects to the $n$-type conductivity of ${\mathrm{…