The electronic structure,x-ray photoelectron and emission spectra of YOF

The results of electronic structure calculations for YOF are presented, making use of Xα-DVM together with experimental X-ray photoelectron and emission spectra for this compound. Three versions of calculations have been performed, depending on the relation between oxygen and fluorine charges in the [YO₄F₄] cluster. The interpretation of experimental spectra is carried out on the basis of these calculations.     

Characterization of electronic structure in dielectric materials by making use of the secondary electron emission

The methodology of characterizing electronic structure in dielectric materials will be presented in detail. Energy distribution of the electrons emitted from dielectric materials by the Auger neutralization of ions is measured and rescaled for Auger self-convolution, which is restructured from the energy distribution of the emitted electrons. The Fourier transform is very effective for obtaining the density of states from the Auger self-convolution. The MgO layer is tested as an example of this new measurement scheme. The density of states in the valence band of the MgO layer is studied by measuring the energy distribution of the emitted electrons for MgO crystal with three different orientations of (111), (100) and (110). The characteristic energy of ?₀ corresponding to the peak density of the states in the band is determined, showing that the (111) orientation has a shallow characteristic energy ?₀ = 7.4 eV, whereas the (110) orientation has a deep characteristic energy ?₀ = 9.6 eV, consistent with the observed coefficient γ of the secondary electron emission for MgO crystal. Electronic structure in new functional nano-films spayed over MgO layer is also characterized. It is therefore demonstrated that secondary electron emission by the Auger neutralization of ions is highly instrumental for the determination of the density of states in the valence band of dielectric materials. This method simultaneously determines the valence band structure and the coefficient γ of the secondary electron emission, which plays the most important role in the electrical breakdown phenomena.     

基于微陷阱结构的金属二次电子发射系数抑制研究

近年来,金属二次电子发射系数的抑制研究在加速器、大功率微波器件等领域得到了广泛关注.为评估表面形貌对抑制效果的影响,利用唯象概率模型计算方法对三角形沟槽、矩形沟槽、方孔及圆孔4种不同形状微陷阱结构的二次电子发射系数进行了研究,分析了微陷阱结构的形状、尺寸对二次电子发射系数抑制特性的影响规律.理论研究结果表明:陷阱结构的深宽比、孔隙率越大,则其二次电子发射系数抑制特性越明显;方孔形和圆孔形微陷阱结构的二次电子发射系数抑制效果优于三角形沟槽和矩形沟槽;具有大孔隙率的微陷阱结构表面的二次电子发射系数对入射角度的依赖显著弱于平滑表面.制备了具有不同表面形貌的金属样片并进行二次电子发射系数测试,所得实验规律与理论模拟规律符合较好.     

高温超导体电子结构和超导机理的角分辨光电子能谱研究

超导是一种奇异的宏观量子现象.100多年来,已发现的超导体主要分为两类:以金属或者合金为代表的常规超导体以及以铜氧化物和铁基高温超导体为代表的非常规超导体.常规超导体的超导机理能被BCS超导理论完美解释,但高温超导体的超导机理至今仍未达成共识,已经成为凝聚态物理领域中长期争论且充满挑战的重大科学问题.从实验上揭示非常规超导材料的微观电子结构,是理解其奇异正常态和超导电性机理、建立新理论的前提和基础.角分辨光电子能谱技术,由于可以实现对材料中电子的能量、动量和自旋的直接测量,在高温超导研究中发挥了重要的作用.本文综述了我们利用角分辨光电子能谱技术在铜氧化物和铁基高温超导体电子结构和超导机理研究中取得的一些进展,主要包括母体的电子结构、正常态的非费米液体行为、超导态的能带和超导能隙结构以及多体相互作用等.这些结果为理解铜氧化物和铁基高温超导体的物性及超导机理提供了重要的信息.     

Angle-resolved photoelectron spectroscopy of geometrically nonuniform surfaces

The formation of angle-resolved photoelectron spectra for crystal surfaces with a complex geometric relief is considered. A simple model of a thin corrugated single-crystal film is proposed which illustrates the main specific features of this process. It is shown that photoelectron spectra of these surfaces exhibit features that, rather than reflecting the true electronic structure of the system, result from its superposition with the geometric structure. The validity of the model is demonstrated with the use of a physical system based on Ni(771) and Ni(755) stepped surfaces with periodic steps. It is revealed that, as a graphite coating grows to a monolayer thickness, these surfaces become faceted to form a geometrically nonuniform surface relief. The photoelectron spectra obtained for such a surface can be used to derive a quantitative characteristic of both the electronic structure of the surface and its geometric properties. The surface topography of the system is determined independently using scanning tunneling microscopy.     

Investigation of electronic structure of ternary molybdenum sulphides by means of x-ray emission and photoelectron spectroscopy

The electronic structure of superconducting Chevrel phases (SnMo₆S₈, PbMo₆S₈, Cu_2.8Mo₆S₈) and nonsuperconducting spinel (GaMo₄S₈) was investigated by X-ray emission (XES) and X-ray photoelectron (XPS) spectroscopy. The comparison of the obtained results with band structure and cluster calculations of given compounds was performed.     

Theory of secondary electron emission

The fine structure in angle-resolved secondary electron spectra is shown to be related to the total reflectivity in low-energy electron diffraction (LEED). Theoretical results for tungsten are compared with experimental data. For non-normal emission, spin-orbit coupling is predicted to produce spin polarization of the emitted electrons.     

High energy photoelectron spectroscopy of correlated electron systems and recoil effects in photoelectron emission

The bulk sensitivity of the high energy photoelectron spectroscopy (PES) in the soft and hard X-ray regions is gradually recognized to be essential for studying the electronic structures of strongly correlated electron systems with different surface and bulk electronic structures. With increasing hν, the kinetic energy (E_K) of photoelectrons is increased with realizing longer inelastic mean free path. Studies of three-dimensional genuine bulk band dispersions and bulk Fermiology are only possible by the soft X-ray angle resolved PES (ARPES). Examples are given for Nd_{2 - x}Ce_xCuO₄ and CeRu₂X₂(X: Si, Ge). The temperature dependence of the Yb 4f spectra provides useful information on valence fluctuation and Kondo resonance. The applicability of the single impurity Anderson model (SIAM) and its limit is discussed in the examples of Yb_{1 - x}Lu_xAl₃ and YbAl₃. The importance of the bulk sensitivity is also demonstrated by the soft and hard X-ray PES for SmOs₄Sb₁₂. When E_K becomes very large, the nucleus (ion) recoil effects become observable on the core photoelectron emission from light elements. The example is shown for Yb_7/8Lu_1/8B₁₂ and the influence of the recoil effects for the future high energy ARPES is briefly discussed.     

Secondary electron emission control in X-ray photoelectron spectroscopy

Secondary electron emission (SEE) is a major player in surface charging during X-ray photoelectron spectroscopy (XPS); its characteristics and applicability as a current source for electrical measurements are studied. We employ sample biasing and a top retarding grid to control the photoelectron current, and further compare their I–V characteristics with direct spectroscopy of the secondary electrons. Using silica-coated gold substrates, the effect of sample work function on the emitted secondary electrons is shown and fine control over the surface potential gradients, in the range of 10–100 meV, is achieved. XPS-based chemically resolved electrical measurements (CREM) can thus be extended to the positive current regime.     

Electronic structure of LiMnO : X-ray emission and photoelectron spectra and band structure calculations

The electronic structure of LiMnO₂ and Li₂MnO₃ was studied by means of X-ray photoelectron and soft X-ray emission spectroscopy. For LiMnO₂, LSDA and LSDA+U calculations were carried out. The LSDA+U calculations are in rather good agreement with the measured valence-band structure as well as with the magnetic and electrical properties of LiMnO₂. It is shown that the band gap in LiMnO₂ is determined by the charge-transfer effect. Received 15 March 1999 and Received in final form 14 July 1999     

Space-charge limitation of secondary electron emission

The paper deals with the calculation of the potential minimum due to the emission of true secondary electrons from a plane electrode. The results together with the corresponding limitation of the emission current are given in the form of graphs because an analytical solution of the problem is impossible.     

Angle-resolved UV photoelectron spectroscopy of ethylene and benzene on nickel

A review of results obtained by Angle-Resolved UV-Photoelectron Spectroscopy (ARUPS) using linearly polarized synchrotron radiation is presented for two model systems, ethylene/Ni and benzene/Ni. It is shown that for these systems detailed conclusions concerning adsorbate/substrate and adsorbate/adsorbate interactions can be derived from ARUPS spectra using symmetry selection rules, and in combination with model calculations. In particular, electronic structure, bonding, orientation and symmetry of the adsorbates in dilute and saturated layers will be discussed. It is shown that at high adsorbate coverages lateral interactions in the adsorbate layer play a dominant role. Steric effects in densely packed layers can lead to a reorientation of the molecules as compared to the orientation of the single molecules. The ARUPS spectra of well ordered, densely packed layers exhibit significant (up to 2 eV) dispersion of the various adsorbate bands and allow detailed conclusions on two-dimensional adsorbate band structures.     

The influence of cone-covered surface structures on sputtering and secondary electron emission: Model

Abstract

The yield and the polar angular distributions of secondary particles emitted from cone-covered surfaces were studied. A model taking into account both the influence of the local incidence angle I and the blocking of the emitted particles by the surface relief was elaborated. For an emission angle a, the transport effect of the particles generated inside the solid was simulated by the standard relation F(a) = (cos a) ⁿ and the emission dependence on the local incidence angle was assumed to behave as E(I) = (cos I) ^-m . Calculations showed that for m= 1 the surface topography only slightly alters the polar angular distribution shape but the yield of the collected particles is always higher than that from a flat surface when m is more than unity. For n= 2, the shape of the distribution curve is significantly different from that of the corresponding flat surface whatever the m values. For n=0, when E(I) very rapidly increases with the incidence angle both the angular distributions shape and the yield are strongly modified by the surface topography.     

Angle-resolved photoelectron spectroscopy of intramolecular hydrogen bond systems: 2-chloroethanol and 2-bromoethanol

He(I) photoelectron angular distributions of typical intramolecular hydrogen bond systems, 2-chloroethanol and 2-bromoethanol, were measured. The intramolecular hydrogen bonds were found not to influence the photoelectron angular distributions for the halogen atom lone pair bands of these compounds. This result is useful for spectral band assignments.