Theory of core photoemission spectra in CeO2

By using the Anderson model with a filled valence band, we calculate the core photoemission spectra of CeO₂, and compare them with experimental results. It is shown that in the ground state of CeO₂ the 4?⁰ and 4?¹ configurations are mixed strongly due to the large hybridization between the 4? states and the valence band. In the final state of the photoemission, the 4?¹ and 4?² configurations are also mixed strongly due to the final state interaction coming from a core hole potential and the large hybridization. The fractional intensity of the 4?⁰ photoemission peak is considerably different from the weight of the 4?⁰ configuration in the ground state because of the strong final state interaction.     

Angle-resolved photoemission spectra of 2H-NbSe2

Angle-resolved photoemission measurements have been made on the metallic layer compound 2H-NbSe₂. From the results, E vs k_∥ dispersion curves have been obtained along two principal symmetry directions in the Brillouin zone. The experimental energy bands are found to be in good agreement with the results predicted by one-dimensional density of initial states along k_⊥.     

Resonant photoemission at the 3p-threshold of Ge and GeO2

Resonant photoemission final states are reported for the elemental semiconductor Ge and its oxide GeO₂ at the Ge3p photothresholds. The line positions and the multiplet structure of the resonating peaks identifies them as an atomic-like 3d⁸ configuration. Differences in the intensity profiles and the exact location of the resonance reveal the importance of a change in initial state electron configuration for this basically atomic effect. The effective Coulomb interaction between the two 3d-holes is $\text{U}{}_{\mathrm{eff}}\text{(}{}^1\text{G) = 12.8, 13.2 ± .2}\text{eV}$ for Ge and GeO₂ respectively. A review of all elemental results then allows the restriction of this resonance to elements between Fe and Rb. The line positions of the resonant final states of the remaining elements As, Se, Br, Kr can then approximately be predicted.     

Intensity variations of angle-resolved photoemission spectra of 2H-NbSe2

Angle-resolved photoemission spectra of 2H-NbSe₂ are calculated on the one-step model with a single plane wave final state and within the constant matrix element approximation. The results are compared with the experimental spectra obtained for ?ω = 21.2 eV. It is found that the intensities of the observed peaks are predicted reasonably well by this model (especially by one-dimensional density of initial states along k_?).     

UHV-MOCVD growth of TiO2 on SiOx/Si(1 1 1): Interfacial properties reflected in the Si 2p photoemission spectra

Metal–organic chemical vapour deposition growth of titanium oxide on moderately pre-oxidised Si(1 1 1) using the titanium(IV) isopropoxide precursor has been studied for two different growth modes, reaction-limited growth at 300 °C and flux-limited growth at 500 °C. The interfacial properties have been characterized by monitoring synchrotron radiation excited Si 2p photoemission spectra. The cross-linking from oxidised Si to bulk Si after TTIP exposure has been found to be very similar to that of SiO_x/Si(1 1 1). However, the results show that the additional oxidation of Si most probably causes a corrugation of the SiO_x/Si interface. Those conclusions are valid for both growth modes. A model is introduced in which the amorphous interface region is described as (TiO₂)_x(SiO₂)_y where x and y changes linearly and continuously over the interface. The model quantifies how (TiO₂)_x(SiO₂)_y mixing changes the relative intensities of the signals from silicon oxide and silicon. The method can be generalised and used for the analyses of other metal-oxides on silicon.     

Anisotropy in the magnetic susceptibility of 2H-TaSe2

The magnetic susceptibility of 2H-TaSe₂ is temperature dependent and anisotropic. The susceptibility with H parallel to the c axis is approximately 2.5 times that perpendicular. The decrease in susceptibility below the charge density wave transition at 122 K is also anisotropic with [χ₆(122 K) ? χ₆(4.2 K]?[χ_⊥(122 K) ? χ_⊥(4.2 K)] ≈ 4. Consequently, this change cannot be simply interpreted as a change in the density of states at the Fermi level, unless very anisotropic electron g values are assumed.     

Ultraviolet photoemission and 4d core reflectance spectra of SmSe(100)

Ultraviolet photoemission (UPS) and inner core reflectance spectra have been measured on SmSe(100) surface with synchrotron radiation. Besides the multiplet structures observed in UPS spectra for the Sm 4f, 5p and 5s excitations, the reflectance spectrum has revealed a multiplet structure associated with the Sm 4d→4f excitation. Each band of the UPS spectra has shown remarkably different hν dependence and the resonant behavior of the cross section. Sm 4f- and Se 4p-derived valence band features are unambiguously identified by the angle resolved UPS.     

Temperature dependent core photoemission in Ce24Co11

We present Ce 3d photoemission results (XPS with Al Kα) in the temperature range 100–660°K. The mixed valence behaviour of Ce is very clear with an increase of the valence at lower temperature. A model analysis (of the Gunnarsson and Schönhammer type) gives the weight of the ?₀ configuration equal to 0.19 at 300°K and equal to 0.23 at 100°K. This soft temperature dependence is discussed in connection with the temperature dependence of magnetic properties and with the chemistry of Ce intermetallics.     

Ultra high resolution of 6.2 keV 181Ta in 2H-TaSe2

The 6.2 keV γ-rays of ¹⁸¹Ta have been used to study the hyperfine interaction of ¹⁸¹Ta in the trigonal prismatic charge density wave material 2H-TaSe₂. Using a region of interest drive and an unstrained single crystal sample, we are able to resolve the splitting between the nuclear transition $\text{±}\text{5}\text{2}\text{→ ±}\text{3}\text{2}$ and $\text{±}\text{7}\text{2}\text{→ ±}\text{5}\text{2}$. Our experimental linewidth is that of the Ta metal.     

Far ultraviolet reflectance spectra of CeF3, PrF3 and NdF3

Near-normal incidence reflectance measurements are carried out on thin films of CeF₃, PrF₃ and NdF₃ in the energy range of 6–40 eV. Tentative interpretations are given for different observed structures.     

Strong polarization dependence and selenium lone-pairs in the photoemission spectra of Sb2Se3

The photoemission energy distribution curves (EDC's) of crystalline and amorphous Sb₂Se₃ were measured in the photon energy range hv=7 to 20 eV using polarized radiation from a synchroton storage ring. The EDC's show that the six electrons per Sb₂Se₃ molecule, attributed primarily to the selenium p-pairs, are clearly separated from the remaining part of the valence band of crystalline Sb₂Se₃. The optical transitions from these states occur with matrix elements strongly dependent on the orientation of the electrical vector of the polarized radiation as a result of crystal field effects. Model densities of states are constructed for both crystalline and amorphous Sb₂Se₃.     

Ta2O5/Ta界面分析的新模型

对Ta₂O₅/Ta样品界面区的深度剖面曲线进行了研究。基于离子溅射引起影响层存在的考虑,提出一种解释该曲线的新模型。通过此模型能很好地拟合实验曲线,并反映了溅射过程中的离子混合效应、原子堆积效应及相应的特征参数。样品由阳极氧化法制得,其厚度为500埃。表面分析在PHI-590型扫描俄歇微探针上完成,所有测量均在室温下进行。研究表明:深度剖面曲线并不符合误差函数分布;影响层的厚度为30—50埃,它是进行深度剖面分析时,决定元素俄歇信号强度的第一位重要因素;深度剖面 关键词：     

A new phase transition in 2H-TaSe2 — A dilatometric study

A new first-order phase transition of 2H-TaSe₂ has been observed at 113 K in thermal expansion measurements, using a high-resolution capacitance dilatometer. The first order nature of the lock-in transition at 93 K has been confirmed. The Charge-Density-Wave ordering transition at 123 K is observable only in the basal plane thermal expansion, emphasing the two-dimensional nature of the ordering.     

Valence and core level photoemission spectra of AlxGa1−xAs

A linear shift towards the top of the valence band with increasing Al-content was observed for all features in the valence band spectra of Al_xGa_1?xAs. The binding energies of the metallic core levels remained invariant, whereas those of As decreased with increasing Al concentration. The results are interpreted in terms of an increasing ionicity with Al content.     

Isotopic shift in angle-resolved photoemission spectra of Bi2Sr2CaCu2O8 due to quadratic electron-phonon coupling

In connection with the experiment on oxygen isotope effect of Bi₂Sr₂CaCu₂O₈ with the angle-resolved photoemission spectroscopy (ARPES), we theoretically study the isotope-induced band shift in ARPES by the Hartree-Fork and quantum Monte Carlo methods. We find that this band shift can be clarified based on a quadratically coupled electron-phonon (e-ph) model. The large ratio of band shift versus phonon energy change is connected with the softening effect of phonon, and the positive-negative sign change is due to the momentum dependence of the e-ph coupling.     

Ultraviolet reflectivity spectra of CuInSe2, CuInTe2 and CuGaTe2

Reflectivity spectra of CuInSe₂, CuInTe₂ and CuGaTe₂ are measured in the photon energy range from 2 to 9 eV. All compounds exhibit nearly the same reflectivity structures, and a comparison with measurements on the other Cu-III-VI₂ semiconductors shows that the band structures of all Cu-III-VI₂ compounds should be very similar except the energy range near the fundamental edge.     

Laser-excited spectra of Lu2SiO5:Ce scintillator

The emission spectra of Lu₂SiO₅:Ce single crystal under the excitation of 266 nm laser were investigated. The emission spectra of LSO single crystal show no temperature quenching from 20 to 300 K, under the excitation of 266 nm laser with 2 mJ pulse energy. With rising temperature, the Ce1 emission is slightly decreased, while the Ce2 emission is slightly increased. These results show the emissions of Ce1 and Ce2 is not only dependent on the concentration ratio but also influenced by the possible energy transfer processes, including Ce1 to Ce2, intrinsic STHs to Ce2 and the phonon-assisted transfer processes. The spectral thermal broadening and the spectral overlap become evident at high temperature, leading to the enhancement of energy transfer. When the excitation power lowers, the ratio of Ce1 and Ce2 emission increases, and is close to the Xe lamp ultraviolet (UV) excitation, suggesting that the energy transfer from Ce1 center to Ce2 center may be also dependent on the excitation power.     

Electroreflectance and reflectance study of 2H-MoSe2

We report the first electrolyte electroreflectance (EER) study of 2HMoSe₂ in the energy range 0.7 to 6 eV. The reflectivity (R) was also measured in the range of 0.7 to 9.5 eV and the real and imaginary parts of the dielectric constant were determined using the Kramers-Kronig relations. All the measurements were done at room temperature. Single crystals of 2H-MoSe₂ were grown using the direct combination of the elements in a sealed silica tube combined with chemical vapor transport using Br as the transport agent. The EER spectrum exhibits sharp structure in the vicinity of the excitonic transitions A, A′, B and B′ as well as higher lying interband transitions; the transition energies are determined with better accuracy than has been possible to date. A comparison of the R and EER spectra helped identify the various features in the EER spectrum.     

The influence of oxygen deficiency and Sb doping on inverse photoemission spectra of SnO2

The changes in the empty electronic states in SnO₂ produced by ion-beam induced oxygen deficiency and by Sb doping have been studied by inverse photoemission spectroscopy. Inverse photoemission in SnO₂ itself is dominated by peaks 4 and 12 eV above the Fermi level, the former associated with empty states of dominant Sn 5p atomic character. Sb doping populates states in the Sn 5s conduction band, shifting the empty state structure closer to the Fermi energy. By contrast oxygen deficiency introduces new states above the main Sn 5p peak. These are tentatively described as 5s-5p hybrids pushed up in energy from the 5p band by mixing between atomic orbitais of different parity in the non-centrosymmetric cation environment of oxygen deficient SnO₂.