Quantum-size effects in the electronic structure of low-dimensional metallic systems

By angle-resolved photoemission the electronic structure of quantum films of Mg, Ag, and Au has been compared on W(110) and Mo(110) substrates which are structurally and electronically very similar but differ in atomic number. In all cases, substrate-induced states with characteristic dispersions are observed in the region of a bulk band gap of the substrate. Based on the comparison between Mo and W, we can exclude that previously observed Mg states are spin-orbit split but observe a spin-orbit splitting in Ag and Au monolayers. This splitting is mainly caused by the substrate because it does not differ much between Ag and Au overlayers despite the large difference in atomic number.     

Influence of ligands on the photoluminescent properties of Eu in europium β-diketonate/PMMA-doped systems

Three kinds of europium β-diketonates Eu(DBM)₃, Eu(BA)₃ and Eu(TTA)₃ (DBM: Dibenzoylmethane; BA: 1-Benzoylacetone; TTA: Thenoyltrifluoroacetone) were doped in poly(methyl methacrylate) (PMMA) matrix. The doped systems were studied by using photoluminescent (PL) spectroscopy, emission decay experiments and X-ray diffractometry. Eu(III) ions in the doped Eu(DBM)₃/PMMA systems have two distinct symmetric sites and the emission band changes greatly with the compositions. Eu(III) in the Eu(BA)₃/PMMA systems gives only one symmetric site in the doped systems and the emission band changes slightly with the compositions. Although two distinct symmetric sites of Eu(III) can be distinguished in the doped systems of Eu(TTA)₃/PMMA, the two sites have similar ⁵D₀ lifetimes and the luminescent spectra almost do not change with the compositions. XRD reveals that crystallites were formed in the doped Eu(DBM)₃/PMMA systems that have different crystalline structure from that of the chelate, and Eu(BA)₃ and Eu(TTA)₃ exist in amorphous state in the doped systems. The difference between the PL properties and structures of the doped systems for the three kinds of chelates should be attributed to different interactions between the chelate molecules and between the chelate and PMMA.     

Effects of acceptor–donor complexes on electronic structure properties in co-doped TiO2: A first-principles study

We theoretically investigate the doping effects induced by impurity complexes on the electronic structures of anatase TiO₂ based on the density functional theory. Mono-doping and co-doping effects are discussed separately. The results show that the impurity doping can make the band-edges shift. The induced defect levels in the band gaps by impurity doping reduce the band gap predominantly. The compensated acceptor–donor pairs in the co-doped TiO₂ will improve the photoelectrochemical activity. From the calculations, it is also found that (S+Zr)-co-doped TiO₂ has the ideal band gap and band edge, at the same time, the binding energy is higher than other systems, so (S+Zr)-co-doping in TiO₂ is more promise in photoelectrochemical experiments.     

Effects of heat treatment and TiO2 content on the optical properties of Eu3+ doped TiO2–SiO2 thin films

The photoluminescence properties of Eu³⁺-doped TiO₂–SiO₂ thin films were investigated. The films were deposited on silicon substrates by the sol–gel process using the dip-coating method. The molar ratio of TiO₂ content was varied from 25% to 100%, while Europium concentration was fixed to 1%. The obtained films were calcinated at various temperatures ranging from 400 °C to 1300 °C, which allowed determining the optimal conditions for the Eu³⁺ luminescence. Meanwhile, the structure of TiO₂–SiO₂ powders, prepared in the same conditions as the films, was also studied by Raman spectroscopy. It revealed the role of Europium and SiO₂ on the stabilization of the anatase phase and the importance of the silica matrix in the control of titania particle size.     

High pressure effects on the luminescent properties and crystal structure of magnesium 8—hydroxyquinoline complex

The fluorescence emission and X-ray diffraction of magenesium 8-hydroxyquinoline complex(Mgq2) have been measured at high pressure up to 14 GPa.It has been found that pressure can influence the emission dramatically.At relative lower pressure(less than 2.5GPa) the fluorescence of Mgq2 changes slightly,but the emission drops quickly with increase of the pressure when the pressure gets higher than 2.5GPa.The results of in situ energy dispersive X-ray diffraction at high pressure with synchrotron radiation indicate that there is a phase transition at about 2.5-3GPa for Mgq2 crystal.2001 Elsevier Science B.V.All rights reserved.     

Effect of Ni deficit on the electronic structure and magnetic properties of PrNi2−xSb2

The influence of a Ni deficit in the nickel sublattice on the electronic and magnetic properties of PrNi_2−xSb₂ compound is investigated. The band structure is calculated using the LMTO method for x=0, 0.50, 1.0 and 1.5. At T=0 K the compound is antiferromagnetic with a magnetic moment on Pr close to 2.0 μ_B.     

Ab initio configuration interaction study on the electronic structure of the X2Σ+, B2Σ+ and 32Σ+ states of SiO+

The energy levels and electronic structure of the X²Σ⁺, B²Σ⁺ and 3²Σ⁺ states of SiO⁺ are studied using ab initio configuration interaction (CI) calculations at and around their equilibrium internuclear distances R _e. Spectroscopic constants and the vertical excitation energy from the SiO⁺ X²Σ⁺ state are predicted for the 3²Σ⁺ state. Based on the calculated CI wavefunctions, avoided crossings of the potential energy curve for the 3²Σ⁺ state and a near-degeneracy effect in the avoided crossing region are examined. The effects of the mixing of excited configuration state functions in the total electronic wavefunctions for the 1–3 ²Σ⁺ states are investigated by analysing correlation energies in terms of the contributions from classes of excited configurations. The importance of both the near-degeneracy effect and the correlation energy effect in describing correctly the electronic structure of the 3 ²Σ⁺ state in the neighbourhood of its R _e is discussed.     

Investigation of the degradation mechanisms in BaMgAl10O17:Eu2+ phosphor: on the influence of thermal process on operational durability

The thermal and operational degradation in optical property of a europium-doped barium magnesium aluminate (BaMgAl₁₀O₁₇:Eu²⁺, BAM) phosphor was studied. BAM was heat-treated at 500°C under various conditions to determine the mechanism of thermal degradation. Operational degradation tests were then performed under a discharging Xe/Ne mixed gas to study the influence of thermal history on operational degradation. It was found that the atmosphere during thermal processing was the major factor affecting not only the thermal degradation, but also the operational degradation. The sample heat-treated under a reducing atmosphere showed enhanced stability during operation.     

Investigation on the nonlinear optical properties of the DCNP/PEK-c guest–host polymer films

The polyetherketone (PEK-c) guest-host polymer thin films doped with 3-(1,1-dicyanothenyl)-1-phenyl-4,5-dihydro-1H-pryazole (DCNP) were prepared. The polymer films were investigated with in situ second-harmonic generation (SHG) measurement. The corona poling temperature was optimized by the temperature dependence of the in situ SHG signal intensity under the poling electric field applying. The temporal and temperature stability of the second-order properties of the poled polymer film were measured by the in situ SHG signal intensity probing. The second-order NLO coefficient L₃₃⁽²⁾=32.65 pm/V at 5=1064 nm was determined by using the Maker fringe method after poling under the optimal poling condition. The dispersion of the NLO coefficient of the guest-host polymer system was determined by the measured value of L₃₃⁽²⁾ at 1064 nm and the two-level model.     

d-wave pairing of spin-polaron quasiparticles in the spin–fermion model of the electronic structure of the CuO2 plane

Bulletin of the Russian Academy of Sciences: Physics - It is shown that the strong coupling between spin moments of copper ions and oxygen holes resulting from the hybridization processes in the...     

Effects of N-doping concentration on the electronic structure and optical properties of N-doped β-Ga2O3

The electronic structures and the optical properties of N-doped β-Ga2O3 with different N-doping concentrations are studied using the first-principles method.We find that the N substituting O（1） atom is the most stable structure for the smallest formation energy.After N-doping,the charge density distribution significantly changes,and the acceptor impurity level is introduced above the valence band and intersects with the Fermi level.The impurity absorption edges appear to shift toward longer wavelengths with an increase in N-doping concentration.The complex refractive index shows metallic characteristics in the N-doped β-Ga2O3.     

Quantitative analysis of the self-absorption and reemission effects on the emission spectrum of photoluminescence in right-angle excitation–detection configuration

A theoretical approach based on differential radiative transport is proposed to quantitatively analyze the selfabsorption and reemission effects on the emission spectrum for right angle excitation–detection photoluminescence measurements,and the wavelength dependence of the reemission effect is taken into account.Simulations and experiments are performed using rhodamine 6G solutions in ethanol as model samples.It is shown that the self-absorption effect is the dominant effect on the detected spectrum by inducing pseudo red-shift and reducing total intensity;whereas the reemission effect partly compensates for signal decrease and also results in an apparent signal gain at the wavelengths without absorption.Both effects decrease with the decrease in the sample concentration and the propagation distance of the emission light inside the sample.We therefore suggest that diluted solutions are required for accurate photoluminescence spectrum measurements and photoluminescence-based measurements.     

Photoluminescence properties of Eu2+–Mn2+ codoped Ca-α-SiAlON phosphors

Eu²⁺–Mn²⁺ codoped Ca-α-SiAlON phosphors, Ca_0.736?ySi_9.6Al_2.4O_0.8N_15.2:0.064 Eu²⁺, yMn²⁺, were firstly synthesized by the high temperature solid state reaction method. The effects of doped Eu²⁺ and Eu²⁺–Mn²⁺ concentrations on the photoluminescence properties of the as-prepared phosphors were investigated systematically. Powder X-ray diffraction shows that pure Ca-α-SiAlON phase is synthesized after sintering at 1700 °C for 2 h under 0.5 MPa N₂ atmosphere. The excitation spectra of Eu²⁺-doped Ca-α-SiAlON phosphors are characterized by two dominant bands centered at 286 nm and 395 nm, respectively. The photoluminescent spectrum of Eu²⁺-doped Ca-α-SiAlON phosphor exhibits an intense emission band centered at 580 nm due to the allowed 4f ⁶5d→4f ⁷ transition of Eu²⁺, showing that the phosphor is a good candidate for creating white light when coupled to a blue LED chip. The intensities of both excitation and emission spectra monotonously decrease with the increment of codoped Mn²⁺ content (i.e. y value), indicating that energy transfer between Eu²⁺ and Mn²⁺ is inefficient in the case of Eu²⁺–Mn²⁺ codoped Ca-α-SiAlON phosphors.     

Oxygen deficiency effects on recombination lifetime and photoluminescence characteristics of ZnO thin films; correlation with crystal structure

The photoluminescence (PL), recombination lifetime (RL), and X-ray diffraction (XRD) spectra of the samples grown at various O₂ fractions of 0.290 (Zn-rich), 0.585 (moderate), and 0.836 (O-rich) over the total pressures in the growth chamber were investigated. XRD measurements revealed that all the films show highly preferred (0002) orientation. The PL measurements exhibit different dominant emissions in the ultraviolet (UV), violet and blue regions for Zn-rich, moderate and O-rich samples, respectively. Well-known green emission and high intensity of free exciton (FX) transition has been observed in Zn-rich sample after the sample is annealed at vacuum probably due to the oxygen deficiencies. Annealing the moderate sample gives rise to the UV emission at energy of 3.263 eV similar to the observed PL emission spectrum for the Zn-rich thin film. O-rich thin film exhibits a 338 meV acceptor level above the valance band maximum, most probably related to zinc vacancy (V_Zn). Free exciton RL measurements result in 568.23, 397.65, and 797.46 ps for Zn-rich, moderate, and O-rich thin films, respectively. A good correlation was found between crystallite size and the lifetime values.