Search results for "quantum"
showing 10 items of 9714 documents
Ab initio calculations of CaZrO3, BaZrO3, PbTiO3 and SrTiO3 (001), (011) and (111) surfaces as well as their (001) interfaces
2019
We carried out ab initio calculations for technologically important ABO3 perovskites, like, CaZrO3, BaZrO3, PbTiO3 and SrTiO3, their (001), (011) and (111) surfaces as well as (001) interfaces. For...
Impact of Annealing Temperature on Tunneling Magnetoresistance Multilayer Stacks
2020
The effect of annealing temperatures on the tunnel magnetoresistance (TMR) of MgO-based magnetic tunnel junctions (MTJs) has been investigated for annealing between 190 and 370°C. The TMR shows a maximum value of 215% at an annealing temperature of 330°C. A strong sensitivity of the TMR and the exchange bias of the pinned ferromagnetic layers on the annealing temperature are observed. Depending on sensor application requirements, the MTJ can be optimized either for stability and pinning strength or for a high TMR signal by choosing the appropriate annealing temperature. The switching mechanism of the ferromagnetic layers in the MTJ and the influence of the annealing on the layer properties,…
How activator ion concentration affects spectroscopic properties on Ba4Y3F17: Er3+, Yb3+, a new perspective up-conversion material
2018
Abstract Ba4Y3F17 with Er3+ and Yb3+, a promising material for up-conversion luminescence, was synthesized. Excellent isomorphic capacity was detected. Low-temperature measurements show that erbium ions are incorporated in multiple lattice positions, which is inconsistent with the current model of Ba4Y3F17 crystal lattice structure. Activator ion concentration has a different impact on 4S3/2 and 4F9/2, states (for the green and red luminescence, respectively) depopulation. Energy transfer from Er3+ 4S3/2 state to Yb3+ is observed even at low temperature (15 K) while Er-Er cross-relaxation is observed from 120 K and above. Yb3+ concentration has a great impact to red-to-green up-conversion l…
Photoelectron Emission from Metal Surfaces Induced by VUV-emission of Filament Driven Hydrogen Arc Discharge Plasma
2015
Photoelectron emission measurements have been performed using a filament-driven multi-cusp arc discharge volume production H^- ion source (LIISA). It has been found that photoelectron currents obtained with Al, Cu, Mo, Ta and stainless steel (SAE 304) are on the same order of magnitude. The photoelectron currents depend linearly on the discharge power. It is shown experimentally that photoelectron emission is significant only in the short wavelength range of hydrogen spectrum due to the energy dependence of the quantum efficiency. It is estimated from the measured data that the maximum photoelectron flux from plasma chamber walls is on the order of 1 A per kW of discharge power.
Interaction of carbon with microstructural defects in a W-Re matrix: An ab initio assessment
2019
The interaction of carbon atoms with point defects and the core of edge and screw dislocations with Burgers vector a 0 / 2 ⟨ 111 ⟩ in W and a W-Re matrix is studied by means of ab initio calculations. The structure and energetics of the ground-state atomic configurations are presented and rationalized. It is found that di-vacancies, which are thermally unstable in pure W according to the state-of-the-art ab initio calculations, can nucleate at C and Re-C complexes, which fill the gap in the explanation of the emergence of nanovoids observed experimentally under irradiation. Also, on the basis of the recent experimental evidence and our calculations, the temperature ranges for the manifestat…
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 …
Ab initio calculations of structural, electronic and vibrational properties of BaTiO3 and SrTiO3 perovskite crystals with oxygen vacancies
2020
The first-principles (ab initio) computations of the structural, electronic, and phonon properties have been performed for cubic and low-temperature tetragonal phases of BaTiO3 and SrTiO3 perovskite crystals, both stoichiometric and non-stoichiometric (with neutral oxygen vacancies). Calculations were performed with the CRYSTAL17 computer code within the linear combination of atomic orbitals approximation, using the B1WC advanced hybrid exchange-correlation functional of the density-functional-theory (DFT) and the periodic supercell approach. Various possible spin states of the defective systems were considered by means of unrestricted (open shell) DFT calculations. It was demonstrated that…
Fabrication and characterization of low cost Cu 2 O/ZnO:Al solar cells for sustainable photovoltaics with earth abundant materials
2016
Abstract The low cost electrodeposition method was used to grow Cu2O thin films and experimentally determine the optimal absorber layer thickness. Raman scattering studies indicate the presence of solely crystalline Cu2O and SEM images show that the thin films consist of grains with a pyramidal shape. The influence of the thickness of the light absorbing Cu2O layer on the basic characteristic of the heterojunction and their properties have been investigated using reflectivity, current–voltage (J–V), capacitance–voltage (C–V) and the external quantum efficiency (EQE) measurements. The depletion layer, the charge collection length of the minority carrier, and reflectivity are the main factors…
Influence of surface topography on depth profiles obtained by Rutherford backscattering spectrometry
2000
A method for determining correct depth profiles from samples with rough surfaces is presented. The method combines Rutherford backscattering spectrometry with atomic force microscopy. The topographical information obtained by atomic force microscopy is used to calculate the effect of the surface roughness on the backscattering spectrum. As an example, annealed Au/ZnSe heterostructures are studied. Gold grains were observed on the surfaces of the annealed samples. The annealing also caused diffusion of gold into the ZnSe. Backscattering spectra of the samples were measured with a 2 MeV 4He+ ion beam. A scanning nuclear microprobe was used to verify the results by measuring backscattering fro…
Stabilization of primary mobile radiation defects in MgF2 crystals
2016
Abstract Non-radiative decay of the electronic excitations (excitons) into point defects ( F – H pairs of Frenkel defects) is main radiation damage mechanism in many ionic (halide) solids. Typical time scale of the relaxation of the electronic excitation into a primary, short-lived defect pair is about 1–50 ps with the quantum yield up to 0.2–0.8. However, only a small fraction of these primary defects are spatially separated and survive after transformation into stable, long-lived defects. The survival probability (or stable defect accumulation efficiency) can differ by orders of magnitude, dependent on the material type; e.g. ∼10% in alkali halides with f.c.c. or b.c.c. structure, 0.1% in…