利用离子激发发光研究低温条件下ZnO发光行为EI北大核心CSCD

离子激发发光(Ions beam induced luminescence,IBIL)可以实时原位分析不同温度、不同离子辐照条件下材料内部点缺陷的演变行为。本文利用2 MeV H^(+)研究了300,200,100 K温度下ZnO单晶内部点缺陷发光及其随注量的演变行为。实验中发现ZnO深能级发射和近带边发射,结合Voigt分峰与XPS实验结果,确定红光(1.75 eV)与V_(Zn)相关,橙红光(1.95 eV)来自Zn_(i)到O_(i)跃迁;对于与V_(O)相关的绿光(2.10 eV),其红移可能由于温度降低导致更多电子由导带释放到Zn_(i)。峰中心位于3.10 eV和3.20 eV近带边发射分别来自于Zn_(i)到价带的跃迁和激子复合,红移原因分别为Zn_(i)附近局域化能级和带隙收缩。利用单指数公式对发光强度进行拟合,获得的衰减速率常数(f)可以表征缺陷的辐射硬度,对比发现深能级发射峰在200 K时辐射硬度最大,而近带边发射峰在300 K时辐射硬度最大。     

Voigt线型函数及其最大值的研究

研究了多普勒和洛伦兹线型函数卷积形式的Voigt线型函数, 给出了它的最大值.结果表明, Voigt线型函数是关于中心频率的对称函数, Voigt线型函数的最大值由多普勒和洛伦兹线型函数的半宽度决定, 与中心频率无关, 且比洛伦兹和多普勒线型函数的最大值都小.提出了利用Voigt线型函数最大值和半宽度获得多普勒线型函数和洛伦兹线型函数的方法, 并利用Monte Carlo方法进行了验证. 关键词： Voigt线型函数 半宽度 最大值 傅里叶变换     

p型K:ZnO导电机理的第一性原理研究

基于密度泛函理论,利用局域密度近似的第一性原理平面波赝势方法,对掺K以及含有氢填隙(H_i)、氧空位(V_O)、锌填隙(Zn_i)和锌空位(V_Zn)的K:ZnO电子结构分别进行了研究.结果表明,1) 单独掺K可引入浅受主,但系统总能增高;2) K与H共掺可降低系统总能,提升稳定性;3) V_O在K+H:ZnO中的形成比Zn_i困难得多,二者都是 关键词： 氧化锌 p型 第一性原理 电子结构     

CO在有K沉积的W(100)面上吸附的角分辨紫外光电子能谱

在不同K覆盖度的W(100)面上吸附CO的Hel紫外光电子能谱研究表明:α和β态的CO由于K的影响,吸附状态发生改变,与CO分子态(α态)有关的5σ/1π分子轨道能级随K覆盖度的增加,结合能位置从8.6eV移到9.3eV,反映K出现后,衬底对α-CO分子反施的增强。在与CO分解态(β态)有关的谱峰位置上(结合能为5.5eV)出现两个离散的谱峰,一个在6.0eV左右,另一个在5.2eV左右。其中结合能在5.2eV左右的谱峰强度随K的覆盖度增加而增大,它的能量位置与O在K覆盖的W(100)面上吸附时的能级位置 关键词：     

LPE碲镉汞薄膜的显微Raman谱与显微荧光谱分析

利用Raman显微镜系统对4块用液相外延(LPE)方法在Cd0.96Zn0.04Te衬底上生长的Hg0.8Cd0.2Te外延薄膜样品，在100～5 000cm^-1光谱范围进行测量，在实验曲线中除了观察到与碲镉汞材料晶格振动相符的类．HgTe的光学振动横模(TO1模)和纵模(LO1模)的Raman散射峰、类-CdTe光学振动横模(TO2模)和纵模(LO2模)混合的Raman散射峰以及来源于TO1 LO1的二级Raman散射峰外，在1 000～5 000cm^-1光谱范围首次发现了LPE碲镉汞薄膜的显微荧光峰，该显微荧光的发光范围换算为电子伏特标度为1．34～1．83eV．发光中心位于2750cm^-1即1.62eV，发光峰的半高宽(FWFIM)约为0．25eV。通过分析指出．该显微荧光来源于碲镉汞外延层中阴性离子空位与材料导带底的共振能级的发光。     

基于吸收光谱的光程长度测量方法研究

基于吸收光谱的基本原理,通过计算比尔-朗伯定律数学表达式中的参数实现了光程长度的测量。分析了高斯线型、洛伦兹线型和Voigt线型,采用了Voigt线型对光谱信号进行拟合。研究了Voigt线型峰值计算方法、洛伦兹线宽计算和误差函数求解三个内容。利用可调谐半导体激光吸收谱技术(TDLAS)中的直接吸收谱技术测量了氧气的吸收光谱,得到拟合的光谱峰值数据。将峰值数据带入比尔-朗伯定律数学表达式中,计算出实验光程长度为66.55 cm。对比测量值66.04 cm,测量精度为0.78%,该方法用于光程长度测量是可行的。     

全无机钙钛矿CsPbBr_(3)微米棒的变温荧光特性EI北大核心CSCD

通过化学气相沉积法(CVD)在云母基底上制备得到CsPbBr_(3)微米棒,并使用扫描电子显微镜(SEM)、X射线衍射(XRD)对样品形貌和晶体结构进行表征。采用变温(10~290 K)荧光光谱研究了CsPbBr_(3)激子发光的温度依赖特性。实验发现,在室温下CsPbBr_(3)微米棒有两个发光峰,分别为位于2.357 eV、半宽为52 meV的自由激子发光及能量位于2.298 eV、半宽为73 meV的束缚激子发光。从10 K开始,随着温度升高,自由激子的峰位能量单调蓝移,束缚激子的峰位能量在120 K之前单调蓝移,其后趋于平缓。且激子峰半高宽随温度升高而逐渐增大。这种变温荧光特性主要是由于激子和纵向光学声子(LO)的相互作用引起的。本文有助于进一步理解CsPbBr_(3)光物理特性,对未来高性能光电子器件研究具有指导意义。     

水泥老化过程中水动态的准弹性中子散射(QENS)谱分析

准弹性中子散射(quasi-elastic neutron scattering, QENS)实验是研究水泥老化过程中水动态的一种新颖的实验方法.本文利用老化时间分别为7, 14和30 d水泥样品的QENS谱实验数据, 通过应用四个高斯项的和的能量分辨函数R(Q, E)代替一个高斯项的能量分辨函数来改进经验扩散模型(empirical diffusion model, EDM), 再进行非线性最小二乘拟合.由此导出水泥样品中水动态的相关物理参数: 不动水数密度A, 自由水指数FWI=B₁/(A+B₁+B₂), 洛伦兹函数的半高宽Γ, 移动水跳跃之间的平均停留时间τ ₀及自扩散系数D_t, 而且可得出更为精准的QENS谱拟合曲线.拟合得到的物理参数可定量描述水泥老化过程中水动态过程, 从而为QENS实验在水泥老化过程中水动态研究的应用提供一种合理实用的谱分析方法.     

InP/InGaAsP多量子阱自发辐射谱的解析函数

利用洛伦兹线型函数、高斯线型函数和Sech线型函数对InP/InGaAsP多量子阱自发辐射谱进行拟合,采用莱文贝格-马夸特算法,得到上述三种函数的解析表达式.研究结果表明:高斯线型光谱拟合函数的中心波长为1548.651nm,谱线半极大全宽度为61.42 nm,功率补偿为0.00212 mW,拟合优度为0.99191,残差平方和为2.26505×10~(-6).高斯线型拟合的拟合优度最大,残差平方和最小,且各数据点的残差值分布在±0.0001之间,分布比较均匀.高斯线型函数具有较高拟合度.     

毛细管聚焦的X射线荧光光谱拟合软件的开发及应用

基于Python语言设计了一款毛细管聚焦的X射线荧光光谱拟合软件QMXRS(quantitative analysis of micro-energy dispersive X-ray fluorescence spectra)并实现其在毛细管聚焦的X射线荧光光谱拟合方面的应用。QMXRS具有小波降噪、本底扣除、能量刻度、元素特征峰的识别、分峰和拟合、能谱的批处理和元素分布成像等功能。毛细管聚焦的X射线荧光分析技术采用毛细管X光透镜对X射线源激发出的X射线束进行聚焦导致X射线荧光光谱分布发生改变。这一变化影响了毛细管聚焦的X射线荧光光谱本底分布。因此QMXRS利用本底预估模型对毛细管聚焦的X荧光光谱本底进行本底分布的修正;同时在全谱拟合过程中,利用半高宽与能量的关系对高斯峰半高宽进行约束,减少高斯峰模型中变量,在保证全谱拟合收敛的同时提高了拟合速度。为验证上述方法的可行性,分别利用QMXRS, PyMca(python multichannel analyzer)和QXAS(quantitative X-ray analysis system)三款软件分析NIST 610标准样品的毛细...     

Removal of inelastic scattering part from Ti2p XPS spectrum of TiO2 by deconvolution method using O1s as response function

Ti2p and O1s XPS spectra of a clean surface of single crystal TiO₂ fractured in situ were taken to study the removal of the inelastic scattering part from the Ti2p spectrum. The features of inelastic scattering peaks in EELS were more influenced by surface than O1s XPS. It indicates that O1s XPS is proper as the response function to deconvolute a Ti2p spectrum. FWHM of the non-energy loss peak of Ti2p_3/2 is smaller than that of O1s. When the raw O1s spectrum is used as the response function, the deconvoluted spectrum has negative intensity values in some regions and beat waves. The replacement of the non-energy loss peak of O1s with narrower Gaussian peak takes off the beat waves. Peak separation of the deconvoluted spectrum reveals that it has six peaks. Two of them are main peaks of Ti2p_3/2 and 2p_1/2. The others are classified into two kinds of satellite peaks, whose energy separation from the main peaks are 3 and 13 eV. Although the latter satellites have been discussed by many authors, the former satellites are first reported here.     

Energy spectrum of ejected electrons in ionization of hydrogen atoms by electrons

Energy spectrum of ejected electrons in ionization of hydrogen atoms has been calculated following a multiple scattering theory of Das and Seal [15]. The results show peaks around two to three Rydbergs of energies of the ejected electrons, for incident electron energy of 250 eV and 500 eV, considered here, and for different combinations of the angular variables of the scattered and the ejected electrons, for scattering in a plane. The peaks are very similar to those observed in relativistic K-shell ionization of Ag atoms by electrons at 500 KeV energy [6]. The physical origin of these peaks may be traced to the second order scatterings, scattering first by the atomic nucleus (or the atomic electron) and then a second time by the atomic electron. These peaks are, however, absent in the first Born results. Experimental verification of the present results and theoretical calculation by some other well-known methods will be interesting.     

Fundamental parameter approach to XRF spectroscopy measurements of arsenic in polyester resin skin phantoms

A fundamental parameter (FP) approach that explicitly incorporates the energy‐broadening response of the detector was developed. The ratio between Kα fluorescence peak area and the sum of coherently and incoherently scattered peak areas was used as an indicator of trace element concentration. The peak ratio was theoretically calculated using the FP method. The energy‐broadening response curve of the Si(Li) detector was estimated by matching the theoretical and experimental values of this ratio. The method was implemented for the analysis of the K‐shell x‐ray fluorescence (K‐XRF) spectra of six polyester resin samples corresponding to six different arsenic concentrations. A ¹⁰⁹Cd radioactive source provided the excitation radiation for spectra acquisition. The predicted detector energy resolution expressed as full width at half‐maximum (FWHM) for Fe Kα fluorescence peak (208 ± 5 eV at 6.4 keV) and As Kα fluorescence peak (222 ± 5 eV at 10.5 keV) were in agreement with the experimental measurements. Copyright © 2008 John Wiley & Sons, Ltd.     

Resonant Raman scattering in single crystal of congruent LiTaO3 : Effect of excitation energy

Large dispersion in the peak position of the OH⁻ stretching mode (∼687.9 and ∼2167.7 cm⁻¹/eV for fundamental and 3rd harmonic, respectively) is observed by Resonance Raman studies in congruent lithium tantalate single crystal under varying excitation energies. This is explained by considering the involvement of multiple LO phonons in the interaction with OH⁻ stretching vibration and the resonantly excited electrons. The intensity of the peaks is also found to vary with the excitation energy. FWHM increases with the increase in excitation energy because of individual contributions of the increasing number of resonance steps to the broadening.     

Theory of emission spectra from metal films irradiated by low energy electrons near normal incidence

The emission spectrum produced by low energy electrons incident on a rough metal surface has been calculated for a roughness auto-correlation function containing a prominent peak at a high wave vector. For low energy electrons near normal incidence, the high wavevector peak dominates the roughness coupled surface plasmon radiation (RCSPR) process. The calculation yields estimates of the ratio of RCSPR to transition radiation, the dependence of emission intensity on electron energy and the shape and position of the RCSPR peak. The most interesting result is that the high-wavevector roughness can split the RCSPR radiation into peaks lying above and below the asymptotic surface plasma frequency. The results are compared with data from Ag in the following paper.     

Resonant inelastic x-ray scattering at the oxygen K resonance of NiO: nonlocal charge transfer and double-singlet excitations

We report high-resolution polarization-dependent resonant inelastic x-ray scattering (RIXS) at the O K resonance of NiO showing a rich excitation spectrum. We perform multisite Ni6O19 cluster model calculations, revealing that solid state effects are substantial. We identify a nonlocal charge transfer excitation at 4-5 eV and double-singlet creation at 1.75 eV, both exhibiting significant scattering geometry dependence. Apart from an intense band of local charge transfer excitations (above 5 eV) also dd excitations at 1 eV are observed. Finally, we point out that O K RIXS of correlated metal oxides allows a quantitative and consistent determination of the charge transfer energy delta and the Hund coupling energy J(H).     

Resonant Raman scattering of CdCr2Se4

The scattering cross section of the Raman-active phonons at 156 cm^?1 (Eg) and 169 cm^?1 (F2g) in the ferromagnetic semiconductor CdCr₂Se₄ (T_c=130 K) has been measured as a function of incident photon energy between 1.55 and 2.81 eV, both in the ferromagnetic and paramagnetic phases. The resonance curve peaks sharply near 2 eV and shows a broadening for temperatures below the Curie point. The relative line intensities change significantly with photon energy. The results show that the concept of spin-dependent Raman scattering in the ferromagnetic spinels has to be revised in terms of exchange-splitting-induced resonant Raman scattering.     

Energy distribution of plasma-assisted electron and ion emission from TGS single crystals

Electron and ion emission accompanying non-thermal plasma processes, produced at the surface of TGS single crystals under driving ac electric field exceeding 10³ V/cm, have been carried out. These plasma-assisted emission of electrons and ions were examined by means of time and energy distribution measurements. The intensity of registered charges (electrons and ions) displayed on the 2 ms time scale are represented by two distinct peaks. Time dependent energy spectrum of charges, detected under our experimental conditions, involves electrons and ions with maximum energy up to 30-40 eV for first peaks and up to 70-80 eV for second one. Additionally, the energy of electrons is focused at about 10-15 eV for first and second peaks and about 60-70 eV for second ones; the ion energy spectrum for both peaks exhibits only distinct low energy maximum focused at about 5-15 eV.