Search results for " STRUCTURE"
showing 10 items of 25475 documents
Ab initio calculations of the electronic structure for Mn2+-doped YAlO3 crystals
2020
The electronic structure of Mn2+ ion substituted for the host Y atom in orthorhombic bulk YAlO3 crystals has been calculated by means of hybrid exchange-correlation functional HSE within density functional theory. The supercell approach has been used to simulate in Pbnm YAlO3 crystal the point defects, Mn-dopant and compensated the F+ center (oxygen vacancy with one trapped electron), to make unit cell neutral. Large 2 × 2 × 2 supercells of 160 atoms allow us to simulate substitutional point defect with concentration of about 3%. Mn2+ ions substituting for host Y form covalent Mn–O bonds, in opposite to the mostly ionic Y–O bond. The F center inserted to compensate the Mn2+ dopant in YAlO3 …
X-ray and dielectric characterization of Co doped tetragonal BaTiO3 ceramics
2016
ABSTRACTThe crystal structure modifications of BaTiO3 induced by cobalt doping were studied. The polycrystalline (1 − x)BaTiO3 + xCo2O3 samples, with x ≤ 10 wt.%, were prepared by high temperature sintering conventional method. According to X-ray phase and structural characterization, performed by full-profile Rietveld refinement technique, all synthesized samples showed tetragonal symmetry perovskite structure with minor amount of parasitic phases. Pure single-phase composition has been detected only in the low level of doping BaTiO3. It was indicated that substitution of Co for the Ti sites in the (1 − x)BaTiO3 + xCo2O3 series led to decrease of tetragonality (c/a) of the BaTiO3 perovskit…
Induced crystallographic changes in Cd1−xZnxO films grown on r-sapphire by AP-MOCVD: the effects of the Zn content when x ≤ 0.5
2020
High-resolution X-ray diffraction, scanning electron microscopy and transmission electron microscopy techniques were used to investigate, as a function of the nominal Zn content in the range of 0–50%, the out-of-plane and in-plane crystallographic characteristics of Cd1−xZnxO films grown on r-plane sapphire substrates via atmospheric pressure metal–organic chemical vapor deposition. The study is conducted to search for knowledge relating to the structural details during the transition process from a rock-salt to a wurtzite structure as the Zn content increases in this CdO–ZnO system. It has been found that it is possible to obtain films exhibiting a single (001) cubic orientation with good …
Effect of oxidation post treatments on TiO2 coating manufactured using reactive very low-pressure plasma spraying (R-VLPPS)
2020
Abstract TiO2 coatings manufactured using reactive very low-pressure plasma spraying (R-VLPPS) were analyzed in different regions related to their position compared to the plasma flame. For that, a screen was used in order to hide an area of the substrate from the direct plasma flux. The coating morphology changed from quasi lamellar structure to highly vapor structure and coatings exhibited obvious modifications in terms of phases and mechanical properties. The effect of oxidation post treatment on the as sprayed coating was then studied by selecting two methods: in situ oxidation post treatment and classical thermal treatment. The two post treatments provided an increase of the main rutil…
Band gap of corundumlike α−Ga2O3 determined by absorption and ellipsometry
2017
The electronic structure near the band gap of the corundumlike $\ensuremath{\alpha}$ phase of ${\mathrm{Ga}}_{2}{\mathrm{O}}_{3}$ has been investigated by means of optical absorption and spectroscopic ellipsometry measurements in the ultraviolet (UV) range (400--190 nm). The absorption coefficient in the UV region and the imaginary part of the dielectric function exhibit two prominent absorption thresholds with wide but well-defined structures at 5.6 and 6.3 eV which have been ascribed to allowed direct transitions from crystal-field split valence bands to the conduction band. Excitonic effects with large Gaussian broadening are taken into account through the Elliott-Toyozawa model, which y…
Current Spreading Length and Injection Efficiency in ZnO/GaN-Based Light-Emitting Diodes
2019
We report on carrier injection features in light-emitting diodes (LEDs) based on nonintentionally doped-ZnO/p-GaN heterostructures. These LEDs consist of a ZnO layer grown by chemical-bath deposition (CBD) onto a p-GaN template without using any seed layer. The ZnO layer (~1- $\mu \text{m}$ thickness) consists of a dense collection of partially coalesced ZnO nanorods, organized in wurtzite phase with marked vertical orientation, whose density depends on the concentration of the solution during the CBD process. Due to the limited conductivity of the p-GaN layer, the recombination in the n-region is strongly dependent on the spreading length of the holes, ${L}_{h}$ , coming from the p-contact…
Crystalline phase detection in glass ceramics by EPR spectroscopy
2018
The advances of EPR spectroscopy for the detection of activators as well as determining their local structure in the crystalline phase of glass ceramics is considered. The feasibility of d-element (Mn2+, Cu2+) and f-element (Gd3+, Eu2+) ion probes for the investigation of glass ceramics is discussed. In the case of Mn2+, the information is obtained from the EPR spectrum superhyperfine structure, for Gd3+ and Eu2+ probes – from the EPR spectrum fine structure, whereas for Cu2+ ions the changes in the EPR spectrum shape could be useful. The examples of EPR spectra of the above-mentioned probes in oxyfluoride glass ceramics are illustrated. ----/ / /---- This is the preprint version of the fol…
Atomic, electronic and magnetic structure of an oxygen interstitial in neutron-irradiated Al2O3 single crystals
2020
This work has been carried out within the framework of the EUROfusion Consortium and has received funding from the Euratom research and training programme 2014-2018 and 2019-2020 under Grant Agreement No. 633053 and Enabling Research project: ENR-MFE19.ISSP-UL-02 “Advanced experimental and theoretical analysis of defect evolution and structural disordering in optical and dielectric materials for fusion application”. The views and opinions expressed herein do not necessarily reflect those of the European Commission. In addition, the research leading to these results has received funding from the Estonian Research Council grant (PUT PRG619).
Luminescence dynamics of hybrid ZnO nanowire/CdSe quantum dot structures
2016
Colloidal CdSe quantum dots (QDs) functionalized with different organic linker molecules are attached to ZnO nanowires (NWs) to investigate the electron transfer dynamics between dots and wires. After linking the quantum dots to the nanowires, the photo-induced electron transfer (PET) from the QDs into the NWs becomes visible in the PL transients by a decrease of dot luminescence decay time. The different recombination paths inside the QDs and the PET process are discussed in the framework of a rate equation model. Photoconductivity studies confirm the electron transfer by demonstrating a strong enhancement of the wire photocurrent under light irradiation into the dot transition. (© 2016 WI…
Current induced chiral domain wall motion in CuIr/CoFeB/MgO thin films with strong higher order spin–orbit torques
2020
We investigate the Dzyaloshinskii–Moriya interaction (DMI) and spin–orbit torque effects in CuIr/CoFeB/MgO heterostructures. To this end, harmonic Hall measurements and current induced domain wall motion experiments are performed. The motion of domain walls at zero applied field due to current demonstrates the presence of DMI in this system. We determine the strength of the DMI to be D = + 5 ± 3 μ J / m 2 and deduce right-handed chirality in domain walls showing a partial Neel type spin structure. To ascertain the torques, we perform a second harmonic measurement to quantify the damping- and field-like current induced effective fields as a function of the magnetization direction. From the a…