室温下InP(100)表面K诱发催化氮化反应的同步辐射光电子能谱研究

利用同步辐射光电子能谱研究了室温下p型InP(100)表面,由于K吸附诱发的催化氮化反应过程。对于N_2/K/InP(100)体系的P2p;In4d芯能级和价带谱的研究表明:碱金属吸附于InP(100)表面可以强烈地影响其在室温下的氮化反应,K的存在极大地提高了N_2在InP(100)表面的粘附系数。由我们的实验结果和碱金属吸附于GaAs(110),InP(110),GaP(110)表面的研究结果可知,碱金属吸附于Ⅲ-V族半导体表面后,可以极大地提高N_2在Ⅲ-V族半导体表面的粘附系数,从而促进Ⅲ-V族半 关键词：     

Ge/ZnSe(100)异质结能带偏移的同步辐射光电子能谱研究

利用同步辐射光电子能谱研究了Ge/ZnSe（100）极性界面的能带连接问题．表面灵敏的芯能级谱显示出Ge原子与Se原子在界面处存在较弱的化学反应．利用芯能级技术，测量了该异质结的价带偏移，为1.76±0.1eV．用界面键极性模型对ZnSe（100）极性表面对价带偏移的影响进行了讨论，理论与实验符合较好 关键词：     

GaSb/GaAs复合应力缓冲层上自组装InAs量子点的生长

研究了GaSb/GaAs复合应力缓冲层上自组装生长的InAs量子点.在2ML GaSb/1ML GaAs复合应力缓冲层上获得了高密度的、沿［100］方向择优分布量子点.随着复合应力缓冲层中GaAs层厚度的不同,量子点的密度可以在1.2×10¹⁰cm^-2和8×10¹⁰cm^-2进行调控.适当增加GaAs层的厚度至5ML,量子点的发光波长红移了约25nm,室温下PL光谱波长接近1300nm. 关键词： 自组装量子点 分子束外延 Ⅲ-Ⅴ族化合物半导体     

Yb2.75C60同步辐射光电子能谱

在超高真空系统中制备了Yb2.75C60薄膜.对样品进行了同步辐射光电子能谱研究.在费米能级以下约5 eV范围内的谱数据由Yb2.75C60价带(C60分子轨道LUMO,HOMO和HOMO-1导出的能带)和芯态(Yb 4f7/2,4f5/2)能级构成.用紫外能区不同能量的入射光子,用C 2p和Yb 4f光电离截面随光子能量的不同变化规律,通过定量拟合,得到了对谱线有贡献的上述各个组分的峰位、峰宽和强度.结果表明,光子能量高于约30.0 eV时,芯态4f的贡献使得实验结果远远偏离价带的本征态密度分布.因此,研究Yb2.75C60价态时,应使用能量低于30.0 eV的光子.对实验和拟合结果分析,发现了类似纯C60的光电离截面振荡现象.振荡幅度相对于纯C60较小,反映了化合物中C60分子的化学环境对光电离截面振荡现象起着不可忽略的作用.     

在C70固体/p-GaAs结构中的甚深深能级

发展了恒温电容瞬态数据处理方法，称新方法为恒温电容瞬态时间积谱(ICTTS).用ICT TS方法测量分析了C₇₀固体/p GaAs异质结的深能级，结果发现在C₇₀固体中存在两个很深的空穴陷阱，H C₁和H₂，它们的能级位置分别为Ev⁺⁰856eV和 Ev+1037eV. 关键词： 70')" href="#">C₇₀ 深能级 恒温电容瞬态     

Yb2.75C60同步辐射光电子能谱

在超高真空系统中制备了Yb275C60薄膜.对样品进行了同步辐射光电子能谱研究.在费米能级以下约5 eV范围内的谱数据由Yb275C60价带（C60分子轨道LUMO，HOMO和HOMO 1导出的能带）和芯态（Yb 4f7/2，4f5/2）能级构成.用紫外能区不同能量的入射光子，用C 2p和Yb 4f光电离截面随光子能量的不同变化规律，通过定量拟合，得到了对谱线有贡献的上述各个组分的峰位、峰宽和强度.结果表明，光子能量高于约300 eV时，芯态4f的贡献使得实验结果远远偏离价带的本征态密度分布.因此，研究Yb275C60价态时，应使用能量低于300 eV的光子.对实验和拟合结果分析，发现了类似纯C60的光电离截面振荡现象.振荡幅度相对于纯C60较小，反映了化合物中C60分子的化学环境对光电离截面振荡现象起着不可忽略的作用. 关键词： Yb275C60 同步辐射光电子能谱 光电离截面振荡     

PbWO4电子结构的密度泛函计算

采用基于密度泛函理论的相对论性离散变分和嵌入团簇方法模拟计算了PbWO4 晶体的本征能级结构 .发现价带主要由O2p轨道组成 ,含有部分W 5d轨道 ;导带主要由W 5d和O2 p的轨道组成 .发现导带底由Pb6 p1/ 2 的狭窄能级占有 .禁带宽度和价带宽度分别约为 4.8和 4eV .计算结果很好地解释了实验得到的反射谱 ,并从理论上分析了PbWO4 晶体蓝光的发光模型     

FeS2多晶薄膜电子结构的实验研究

用磁控溅射方法制各纯Fe薄膜，并硫化合成FeS₂. 采用同步辐射X射线近边吸收谱与X射线光电子能谱研究了薄膜的电子结构. 结果表明，合成的FeS₂薄膜，在费米能级附近，有较强的Fe 3d态密度存在，同时，在价带谱中2—10eV处有强度较大的S 3p态密度存在；Fe的3d轨道在八面体配位场作用下分别为t_2g和e_g轨道，实验中由Fe的吸收谱计算得到两分裂能级之差为2.1eV;实验测得FeS₂价带结构中导带宽度约为2.4eV，导带上方仍存在第二能隙，其宽度约为2.8eV. 关键词： 磁控溅射 二硫化铁 X射线吸收近边结构 电子结构     

PbWO4电子结构的密度泛函计算

采用基于密度泛函理论的相对论性离散变分和嵌入团簇方法模拟计算了PbWO₄晶体的本征能级结构.发现价带主要由O2p轨道组成,含有部分W5d轨道;导带主要由W5d和O2p的轨道组成.发现导带底由Pb6p_1/2的狭窄能级占有.禁带宽度和价带宽度分别约为4.8和4eV.计算结果很好地解释了实验得到的反射谱,并从理论上分析了PbWO₄晶体蓝光的发光模型. 关键词： 密度泛函 电子结构 4')" href="#">PbWO₄     

低覆盖度的Au/GaN(0001)界面的同步辐射研究

利用同步辐射光电子能谱研究了低覆盖度Au在GaN(0001)表面的初始生长模式,肖特基势垒高 度以及界面的电子结构.结果表明，Au沉积初始阶段有界面的化学反应,随后呈三维岛状生长 .由光电子能谱实验确定的肖特基势垒高度为14 eV. 通过对界面价带谱和Au 4f芯能级谱 的分析,确定了界面化学反应的存在.利用线性缀加平面波方法计算了GaN(0001)和Au的价带 态密度并分析了化学反应产生的机理,认为在初始阶段界面形成了Au_Ga合金. 关键词： 同步辐射 光电子能谱 Au/GaN欧姆接触 态密度     

Na and K on Al(100) studied by low-energy electron diffraction and high-resolution core-level spectroscopy

The temperature effects on sub-monolayers of V deposited at the TiO₂(001) surface have been studied by ultraviolet and X-ray photoelectron spectroscopies, UPS and XPS, from 300 up to 623 K.

V coverages, Θ_v, between 0.2 and 0.7 monolayers (ML) were deposited by an e-beam evaporator at 300 K. The V 2p_3/2 core line region exhibits two well-defined components whose relative intensity depends on Θ_v. These two components, assigned to different oxidation states of V, are correlated with two features, with a dominant V 3d character, detected within the TiO₂(001) band gap of the UPS valence band spectra.

UPS and XPS measurements performed after in-situ thermal treatments show unambiguous and reproducible changes of these spectral components. After annealing at 623 K only the higher binding energy component is present in the V 2p_3/2 spectra; the Ti 2_p core lines recover the typical symmetry of the clean and stoichiometric TiO₂(001) surface and the higher binding energy feature only is detected in the TiO₂ band gap. These data suggest that, within the volume probed by XPS and UPS, Ti ions have a mainly d⁰ configuration, while V has a single and stable open-shell configuration, as revealed by the significant intensity detected within the TiO₂ band gap. These annealing-induced changes are due, as suggested by the O 1s/Ti 2p core line intensity trend, to an oxygen diffusion from the TiO₂ bulk to the surface. Finally, a detailed analysis of the data indicates that different V/TiO₂(001) interfaces exhibit different behaviours after annealing treatments, depending on Θ_v. For Θ_v = 0.7 ML, V interdiffuses into the TiO₂ sub-surface layers, whereas for Θ_v = 0.2 ML it remains at the surface. This finding is consistent with a rearrangement of V atoms. which under annealing occupy first the energetically most favorable surface sites (Θ_v = 0.2 ML) before interdiffusing into the TiO₂ lattice (Θ_v = 0.7 ML).     

Valence variations in the monolayer regime of Sm on the Nb(110) surface

Sm overlayers in the monolayer regime, deposited on a Nb(110) single-crystal surface at room temperature, have been studied by means of high-resolution photoelectron spectroscopy of the Nb 3d_5/2 core level and the Sm valence band. In the submonolayer regime, the Sm valence varies from mainly divalent for very low coverages to essentially trivalent close to a complete monolayer. Above 1 ML, a new divalent component appears in the Sm 4f spectra, corresonding to divalent Sm in the second layer. The mixed valence in this overlayer system is concluded to be heterogeneous (all Sm atoms have integer but site-dependent valence). Sm forms ordered overlayers on Nb(110) and the Sm growth is consistent with a layer-by-layer growth mode (Frank–van der Merwe growth).     

Manganese silicide single crystal and films deposited on Si(1 1 1): A comparative spectroscopic study

A comparative experimental study is presented of the electronic properties of MnSi films grown on Si(1 1 1) and of MnSi single crystals, using X-ray absorption spectroscopy (XAS), and core level and valence band photoemission spectroscopy (PES). No significant differences in the electronic structure of the two systems can be found.Absorption measurements on the Mn 2p threshold show a mixed valence ground state, where the multiplet structure is washed out by the hybridisation of the Mn 3d states with the Si sp states. These results are also confirmed by photoemission (PE) spectra from the valence band and the Mn 3s, 3p and 2p core levels.Strong attention has been paid to the effect of contamination. The occurrence of multiplet effects in the absorption spectra indicates unambiguously the localisation of the Mn 3d electrons in Mn-O bonds, which strongly influences the electronic properties of these systems.     

The interface structure and band alignment at alumina/Cu(Al) alloy interfaces—Influence of the crystallinity of alumina films

Both epitaxial and amorphous ultra-thin alumina films were grown on a Cu-9 at.%Al(1 1 1) substrate by selective oxidation of Al in the alloy in ultra high vacuum. The crystallinity of the alumina films was controlled by oxidation temperature. The photoelectron spectra of Al 2p, O 1s and valence band were measured in-situ during oxidation. The influence of the crystallinity on the interface structure between the alumina films and the substrate was discussed by analyzing the Al 2p spectra composed of multiple peaks. The energy difference between the Fermi level of the substrate and the valence band maximum of the alumina films (band offset) was derived from the valence band spectra. The energy band alignment at the interface between each of the two alumina films and the substrate was revealed by combining the binding energy values of the core levels with the band offset values. The influence of the alumina crystallinity on the band alignment was discussed.     

Metallization and demetallization of clean and oxygen-covered ultrathin alkali metal films on GaAs(1 0 0)

The structure and the electronic valence state occupation of ultrathin K, Rb, and Cs films grown on a GaAs(1 0 0)-(4×2) surface have been studied by means of metastable He atom scattering (MHAS), He atom scattering (HAS), and low-energy electron diffraction (LEED) at temperatures ranging from 150 to 400 K. From the survival probability of the scattered He^* atoms, detailed information on the coverage-dependent filling of the alkali metal valence states and their emptying upon subsequent exposure to oxygen were derived. These data reveal for K and Rb a nearly linear band filling with increasing coverage starting at about 0.5 ML whereas a more rapid filling is observed for Cs which is almost completed at about 0.7 ML. Subsequent oxygen adsorption causes a demetallization of the metallic alkali metal monolayers. In case of Cs, a distinct minimum of the He^* signal appears at an oxygen exposure of about 0.8 L, presumably indicating the onset of subsurface oxidation.     

Two-carrier transition in radiative recombination of two-dimensional electrons in GaAs/AlGaAs

We observed photoluminescence (PL) and photoluminescence excitation (PLE) spectra due to shake-up processes of recombination of two-dimensional electrons and free excitons in a modulation-doped GaAs quantum well at He temperatures. One of the processes is that when an electron recombines with a hole, another electron is excited from the conduction band in GaAs to that in AlGaAs. The other process is that a hole is excited from an acceptor level or the valence band in GaAs to the valence band in AlGaAs during recombination. The electron process is observed in both PL and PLE spectra while the hole process only in the PL spectra. The excitation-intensity dependence of the peak intensity of hole-excited PL is almost quadratic, indicating three-carrier process in the shake-up process. The band offsets of the conduction and valence bands are estimated to be 220 and 146 meV, respectively.     

X-ray Photoelectron Spectroscopy of Sb2S3 Crystals

The paper presents the X-ray photoelectron spectra (XPS) of the valence band and core levels of semiconductor ferroelectric Sb₂S₃ single crystals, which show weak phase transitions and anomalies of various physical properties. The XPS were measured with monochromatized Al K _α radiation in the energy range 0-1450 eV and the temperature range 160-450 K. The valence band is located 0.8-7.5 eV below the Fermi level. Experimental results of the valence band and core levels are compared with the results of theoretical ab initio calculations of the molecular model of Sb₂S₃ crystal. The chemical shifts in Sb₂S₃ crystal for the Sb and S states are obtained. Results revealed that the small structural rearrangements at the phase transition T _c1 = 300 K shift the Fermi level and all electronic spectrum. Also, temperature dependence of a spontaneous polarisation shifts the electronic spectra of the valence band and core levels. Specific temperature-dependent excitations in Sb 3d core levels are also revealed.     

不同厚度CdSe阱层的表面上自组织CdSe量子点的发光性质

利用变温和变激发功率分别研究了不同厚度CdSe阱层的自组织CdSe量子点的发光。稳态变温光谱表明:低温下CdSe量子阱有很强的发光,高温猝灭,而其表面上的量子点发光可持续到室温,原因归结于量子点的三维量子尺寸限制效应;变激发功率光谱表明:量子点激子发光是典型的自由激子发光,且在功率增加时。宽阱层表面上的CdSe量子点有明显的带填充效应。通过比较不同CdSe阱层厚度的样品的发光,发现其表面上量子点的发光差异较大,这可以归结为阱层厚度不同导致应变弛豫的程度不同,直接决定了所形成量子点的大小与空间分布^[1]。     

X-ray photoelectron spectroscopy characterization of the layered intercalated compound K2xMn1 − xPS3

Polycrystalline powders of the layered MnPS₃ compound have been intercalated with K⁺ ions by ion-exchange to yield the K_2xMn_1 − xPS₃ intercalate. X-ray photoelectron spectroscopy has been applied to learn about the electronic structure of this compound. In particular, we have studied the XPS spectra of the Mn 2p and 3p, P and S 2p, K 2p and 3p core levels and of the valence band region. The binding energies for various core levels of the elements present in this compound and their observed chemical shifts are analyzed. The data give evidence for the lack of non-equivalent atoms of K, Mn, P and S. Shake-up satellites are present at the Mn 2p and 3p core levels. The occurrence of such lines allows us to hypothesize that K_2xMn_1 − xPS₃ is a large-gap insulating Mn compound. Confirmation that only an ion transfer accompanies the intercalation process is given from both the strong observed similarity with the corresponding XPS spectra in MnPS₃ and the observed binding energy positions of the K 2p and 3p levels. As regards the valence band XPS spectrum, the observed analogies with the corresponding XPS spectra of the pure compound and of other K compounds have allowed us to single out two regions and their probable contributors.     

Photoemission study of Gd metal overlayers on a GaAs(110) surface

We have studied the chemical reactions of Gd metal on an in situ cleaved GaAs(110) surface by photoemission spectroscopy of Ga 3d and As 3d core-levels as well as the Gd 4f level on- and off-resonance valence band using synchrotron radiation. We find that the Fermi-level pinning is completed before 0.13 ML coverage, and the deposited Gd atoms start to react with the GaAs substrate at a very low coverage (critical coverage < 0.067 ML). As more Gd atoms are deposited, they form stable compounds with As atoms which are then trapped in the relatively narrow interfacial layer of thickness less than about 3.3 ML, while Ga atoms diffuse out towards the surface and eventually become metallic. The thickness of the GdGa intermixed layers is estimated to be about 6.7 ML, which is somewhat greater than that for a interface.