半导体超晶格子带间跃迁光吸收理论研究

从理论上研究了半导体超晶格子带间跃迁的光吸收性质,以GaAs/AlxGa1－xAs超晶格为例进行数值计算,分析了该材料的吸收系数随入射光光子能量、光场强度和超晶格结构参量（阱宽,垒宽,势垒高）的变化关系计算表明：随着入射光光子能量的变化,出现非对称的吸收峰;光强只改变吸收系数大小;超晶格结构参量会改变吸收谱的谱宽和吸收峰所对应的入射光频率随着超晶格阱宽（垒宽）的增大,吸收谱由宽变窄,吸收峰红移;随着超晶格Al组分变大,吸收谱变窄.     

金红石型二氧化钒的电子结构及光电性质的计算

采用原子簇嵌入模式的电荷自洽离散变分法(SCC-DV-Xα-ECM),对金红石型二氧化钒(VO₂)的电子结构、介电常数、吸收系数、折射率、电导率等光电性质进行计算.得到O的2p能态与V的3d能态杂化形成一个宽带,费米能级在此带内上部.在费米能级下的能级上都占据有电子,此带中有大量电子都可参与导电,因此金红石型VO₂呈现金属性质.介电常数虚部随入射光频率的变化,反映了在0.8 eV能量附近,电子激发以带内跃迁为主,在5~7 eV能量范围,电子激发以带间跃迁为主.折射率和消光系数与已报道的实验结果符合得比较好.并将所得结果与CASTEP软件计算结果对比及分析讨论.     

Fluorescence Quenching of Auramine in Fluid Solutions: A Femtosecond Spectroscopy Study

The quenching of Auramine fluorescence in ethanol is studied by two ultrafast spectroscopy techniques. The gain band, probed by transient absorption spectroscopy, vanishes in a few picoseconds, while a transient absorption band rises and the ground-state repopulation is delayed. In up-conversion experiments, nonexponential wavelength-dependent fluorescence decays are observed. The average decay times increase with the wavelength and the reconstructed instantaneous spectrum exhibits a few hundred-wavenumber red shift and a broadening while its intensity drops. The previously proposed relaxation model, involving a barrierless internal twisting motion toward a transient dark state, is further examined. In particular, the extinction coefficients of the transient state are extracted from the differential absorption spectra. The band is found to lie in the same wavelength range as the dimethylaniline cation radical. This result is discussed as a possible support for an internal twisting process involving a charge shift.     

Coulomb effects on the gain and absorption spectra of the electron-hole plasma in GaAs

Many-body effects due to electron-hole (e-h) attraction and self-energy corrections are investigated on gain and absorption line shapes of degenerate e-h plasma in direct-gap semiconductors. It is demonstrated for GaAs that a large enhancement in experimental gain and absorption coefficients near crossover, which is not reproduced in single-particle treatments, is accounted for by the excitonic e-h interaction. The self-energy corrections, containing the renormalization due to e-e and e-phonon interactions, reduce the direct band gap in GaAs. Their weak $\text{k}$ dependence further improves agreement with experiment.     

GaAs半导体中的三光子吸收

本文从直接能隙半导体中三光子吸收跃迁速率的全量子理论表达式出发,在二能带和四能带理论模型下,分别就抛物线和非抛物线型能带,计算了GaAs半导体的三光子吸收系数。其结果与实验值作了比较。同时还给出了GaAs中三光子吸收系数的色散曲线。     

烟道气体SO2光谱辐射强度和吸收系数的研究

采用乘积近似法构建配分函数合理模型,计算了SO2分子的总配分函数.利用所得的配分函数、将常温下的无转动跃迁矩平方近似为一常数并应用于高温及Herman-Wallis因子系数,编制光谱程序,计算了烟道气体SO2分子三个主要跃迁带100-000、001-000和101-000不同温度段的光谱强度和吸收系数.结果表明,计算所得的配分函数和谱线强度与数据库相比,不管是常温296K还是高温3000K,都吻合较好,相对偏差都在3%以下,这说明构建的配分函数模型和编制的程序是可靠的,在此基础上,进一步计算了各跃迁带在不同温度的吸收系数.从模拟光谱图可看出,强度随着温度升高明显减小,谱带带心没变,峰值波数向两边偏移;吸收系数随着温度升高也减少,其中在3000K以下吸收峰位置增宽,到高达4000K以上基本不再变换,这为监测烟道气体环境污染提供实验和理论参考.     

烟道气体SO2光谱辐射强度和吸收系数的研究

采用乘积近似法构建配分函数合理模型,计算了SO₂分子的总配分函数.利用所得的配分函数、将常温下的无转动跃迁矩平方近似为一常数并应用于高温及Herman-Wallis因子系数,编制光谱程序,计算了烟道气体SO₂分子三个主要跃迁带100-000、001-000和101-000不同温度段的光谱强度和吸收系数.结果表明,计算所得的配分函数和谱线强度与数据库相比,不管是常温296 K还是高温3000 K,都吻合较好,相对偏差都在3%以下,这说明构建的配分函数模型和编制的程序是可靠的,在此基础上,进一步计算了各跃迁带在不同温度的吸收系数.从模拟光谱图可看出,强度随着温度升高明显减小,谱带带心没变,峰值波数向两边偏移;吸收系数随着温度升高也减少,其中在3000 K以下吸收峰位置增宽,到高达4000 K以上基本不再变换,这为监测烟道气体环境污染提供实验和理论参考.     

Linear and Nonlinear Optical Properties of Spherical Quantum Dots:Effects of Hydrogenic Impurity and Conduction Band Non-Parabolicity

Simultaneous effects of an on-center hydrogenic impurity and band edge non-parabolicity on intersubband optical absorption coefficients and refractive index changes of a typical GaAs/Al x Ga 1 x As spherical quantum dot are theoretically investigated,using the Luttinger-Kohn effective mass equation.So,electronic structure and optical properties of the system are studied by means of the matrix diagonalization technique and compact density matrix approach,respectively.Finally,effects of an impurity,band edge non-parabolicity,incident light intensity and the dot size on the linear,the third-order nonlinear and the total optical absorption coefficients and refractive index changes are investigated.Our results indicate that,the magnitudes of these optical quantities increase and their peaks shift to higher energies as the influences of the impurity and the band edge non-parabolicity are considered.Moreover,incident light intensity and the dot size have considerable effects on the optical absorption coefficients and refractive index changes.     

Comparison of 1300 nm quantum well lasers using different material systems

The band structure and material gain are calculated for 1300-nm band quantum well lasers of GaInNAs, AlGaInAs and GaInAsP material systems. The material compositions for each system are carefully chosen for comparison. The calculated results show that the peak gain is around the same in spite of the difference in band structures for the three systems.     

Characterization of photoluminescence spectra from poly allyl diglycol carbonate (CR-39) upon excitation with the ultraviolet radiation of various wavelengths

The induced photoluminescence (PL) from the π-conjugated polymer poly allyl diglycol carbonate (PADC) (CR-39) upon excitation with the ultraviolet radiation of different wavelengths was investigated. The absorption and attenuation coefficients of PADC (CR-39) were recorded using a UV–visible spectrometer. It was found that the absorption and attenuation coefficients of the PADC (CR-39) exhibit a strong dependence on the wavelength of ultraviolet radiation. The PL spectra were measured with a Flormax-4 spectrofluorometer (Horiba). PADC (CR-39) samples were excited by ultraviolet radiation with wavelengths in the range from 260 to 420 nm and the corresponding PL emission bands were recorded. The obtained results show a strong correlation between the PL and the excitation wavelength of ultraviolet radiation. The position of the fluorescence emission band peak was red shifted starting from 300 nm, which was increased with the increase in the excitation wavelength. The PL yield and its band peak height were increased with the increase in the excitation wavelength till 290 nm, thereafter they decreased exponentially with the increase in the ultraviolet radiation wavelength. These new findings should be considered carefully during the use of the PADC (CR-39) in the scientific applications and in using PADC (CR-39) in eyeglasses.     

太湖水体浮游藻类吸收系数及影响因素分析

探讨研究了太湖水体浮游藻类的吸收系数的空间变化特征及其影响因素,2009年4月对太湖52个样点进行野外采样,并测量总叶绿素a浓度和浮游藻类的吸收系数。分析了色素包裹效应对比吸收系数的影响,通过计算得到太湖水体不同区域的色素包裹因子,并对浮游藻类的吸收系数进行包裹效应的校正;利用浮游藻类在440nm的吸收系数(aph(440))与675nm吸收系数(aph(675))的比值以及标准化比吸收系数谱来衡量太湖水体在不同区域、不同波段处,辅助色素对比吸收系数的影响。结果表明:(1)太湖水体在短波处浮游藻类的比吸收系数变化较大,而在675nm变化相对较小,梅梁湾水体的比吸收系数要低于其他区域的。(2)太湖水体比吸收系数的空间差异受包裹效应影响较为严重,包裹效应对比吸收系数空间变化的影响梅梁湾的水体要大于其他区域的,近岸水体要大于离岸较远的水体。(3)辅助色素对比吸收系数的影响相对较弱,主要集中在短波波段处,梅梁湾等水体辅助色素对浮游藻类的比吸收的影响要小于其他区域的,近岸水体要小于离岸较远的水体     

Pressure induced optical absorption and refractive index changes of a shallow hydrogenic impurity in a quantum wire

Pressure induced binding energy of a hydrogenic impurity in an InAs/GaAs quantum wire is investigated. Calculations are performed using Bessel functions as an orthonormal basis within a single band effective mass approximation using variational method. Photoionization cross-section of the hydrogenic impurity in the influence of pressure is studied. The total optical absorption and the refractive index changes as a function of normalized photon energy between the ground and the first excited state in the presence of pressure are analyzed. The optical absorption coefficients and the refractive index changes strongly depend on the incident optical intensity and pressure. The occurred blue shift of the resonant peak due to the pressure gives the information about the variation of two energy levels in the quantum well wire. The optical absorption coefficients and the refractive index changes are strongly dependent on the incident optical intensity and the pressure.     

Ti和Al共掺杂ZnS的电子结构和光学性质

基于密度泛函理论的第一性原理研究Ti和Al单掺杂和(Ti,Al)共掺杂ZnS的能带结构、电子态密度分布、介电函数、光学吸收系数,分析了掺杂后电子结构与光学性质的变化.计算结果表明:掺杂后禁带中引入了新的杂质能级,费米能级进入导带.掺杂改变了ZnS晶体的导电特性,使它表现出金属特性,导电性能增强;与纯净ZnS相比,Ti单掺杂和(Ti,Al)共掺杂ZnS的吸收边均出现明显的红移,且在1.79eV左右出现了一个新峰;而Al单掺杂ZnS的吸收边则发生明显的蓝移,且不产生新的吸收峰.     

Photo- and thermostimulated processes in α-Al2O3

We reported on the recombination processes determined by the release of electrons from defects connected with the dosimetric 430 K thermostimulated luminescence (TSL) peak as well as with the 260 K TSL peak. These TSL peaks appear in thermochemically reduced α-Al₂O₃ crystals containing hydrogen and emission of these TSL peaks corresponds to luminescence of the F-center. The X-ray exposure or UV excitation in the absorption band of F-centers at 6.0 eV of reduced α-Al₂O₃ crystals doped with acceptor impurities results in the appearance of a broad anisotropic complex absorption band in the spectral region 2.5–3.5 eV and in the appearance of a predominant TSL peak at 430 K. Above 430 K the above-mentioned broad absorption band disappears. Optical bleaching of the 2.5–3.5 eV band is accompanied by the disappearance of the 430 K TSL peak and results in F-center emission. The X-ray or UV excitation of reduced α-Al₂O₃ crystals with donor-type impurities results in the appearance of an anisotropic absorption band at 4.2 eV and the appearance of a dominant TSL peak at 260 K. Above 260 K the 4.2 eV absorption disappears and photostimulated luminescence (PSL) of the F-center recombination luminescence in the 4.2 eV region is no longer observed. Optical bleaching of the 4.2 eV absorption band is accompanied by the disappearance of the 260 K TSL peak. The successful use of reduced α-Al₂O₃ in dosimetry needs the optimization of the concentration of all components (acceptors, hydrogen, intrinsic defects) involved in the thermo- and photostimulated processes.     

丹参不同部位的红外光谱法分析

首次采用红外光谱三级鉴定法对丹参不同部位的药材粉末及其水提物和醇提物进行了分析与评价研究。结果表明, 一维图谱中, 丹参花与根的相似系数最高, 为0.9123 ; 叶在1650～1611 cm- 1的特征峰峰高明显高于其他部位; 二阶导数谱中, 1160~1000 cm-1范围内吸收峰的峰形、相对峰强有所差异, 不同部位水提物和醇提物的分析结果进一步明确了丹参根、茎、叶、花存在差异; 二维相关光谱中, 茎与叶、根与花的二维相关谱图仍较为相似, 印证一维及二阶导数谱结论。     

垂直电场下扭转双层石墨烯光学吸收性质的理论研究

层间扭转角度是对石墨烯物理性质宽波段可调谐的一个新参量.本文采用2°<θ<15°扭转角度下的连续近似模型,获得了不同扭转角度双层石墨烯分别在有、无电场下的能带结构,通过电子-光子相互作用跃迁速率,计算模拟了范霍夫奇点附近电子带内跃迁和带间跃迁所引起的光学吸收谱.结果表明,在无外加电场时,带间跃迁吸收峰的位置随着扭转角度的增大而发生从红外到可见光波段的蓝移,且吸收系数增大,带内跃迁的光学吸收系数相对于带间跃迁高出2个数量级;而存在外加电场时,两个范霍夫奇点在波矢空间的位置发生偏移,带间跃迁吸收峰发生分裂,且两个分裂的吸收峰位置随着电场强度的不断增大而反向行进.上述研究结果对石墨烯材料在光电器件方面的应用有一定指导作用.     

Point defects related to 260 K thermostimulated luminescence in α-Al2O3

Abstract

Thermo- and photostimulated processes are studied in reduced hydrogen containing α-Al₂O₃ excited by UV light. It is found that UV excitation in F absorption band at 90 K results in a ionization of the F-centers and capture of released electrons at defects thus producing an anisotropy absorption band at 4.2 eV and the dominant thermoluminescence (TL) peak at 260 K. The 260 K TSL peak is accompanied by complete bleaching of the 4.2 eV absorption band and vice versa—by light stimulation in the region of the 4.2 eV band the 260 K TSL peak disappear and released electrons recombine with F⁺-centers. Both the effect of the preliminary high-temperature thermal treatment of samples on formation of 4.2 eV-centers and the observed dichroism characteristics allows to conclude that corresponding complex defect contains hydrogen and can involve vacancy pair.     

Effect of size and indium-composition on linear and nonlinear optical absorption of InGaN/GaN lens-shaped quantum dot

Based on the Schr ¨odinger equation for envelope function in the effective mass approximation, linear and nonlinear optical absorption coefficients in a multi-subband lens quantum dot are investigated. The effects of quantum dot size on the interband and intraband transitions energy are also analyzed. The finite element method is used to calculate the eigenvalues and eigenfunctions. Strain and In-mole-fraction effects are also studied, and the results reveal that with the decrease of the In-mole fraction, the amplitudes of linear and nonlinear absorption coefficients increase. The present computed results show that the absorption coefficients of transitions between the first excited states are stronger than those of the ground states. In addition, it has been found that the quantum dot size affects the amplitudes and peak positions of linear and nonlinear absorption coefficients while the incident optical intensity strongly affects the nonlinear absorption coefficients.     

Two-photon absorption of optical and x-ray quanta

Two-photon absorption of an optical (laser) and an x-ray quantum is considered within the context of the Born approximation. A simple expression relating the two-photon and one-photon photoionization absorption coefficients is obtained. If the upper state is one of the conduction bands of a solid, the two-photon absorption coefficient is shown to peak at points in the zone for which the curvature of the band is a maximum. Numerical estimates show that with a 100 kW Nd laser, the intensity of the two-photon absorption process is a few percent of that of the one-photon process.     

Simultaneous Effects of External Electric Field and Conduction Band Nonparabolicity on Optical Properties of a GaAs Quantum Dot Embedded at the Center of a GaAlAs Nano-Wire

An investigation of the optical properties of a GaAs spherical quantum dot which is located at the center of a Ga1-xAlx As cylindrical nano-wire has been performed in the presence of an external electric field. The band nonparabolieity effect is also considered using the energy dependent effective mass approximation. The energy eigenvalues and corresponding wave functions are calculated by finite difference approximation and the reliability of calculated wave functions is checked by computing orthogonality. Using computed energy eigenvalues and wave functions, the linear, third-order nonlinear and total optical absorption coefficients and refractive index changes are examined in detail. It is found that （i） Presence of electric field causes both blue and red shifts in absorption spectrum; （ii） The absorption coefficients shift toward lower energies by taking into account the conduction band nonparabolicity; （iii） For large values of electric field the effect of conduction band nonparabolieity is less dominant and parabolic band is estimated correctly; （iv） In the presence of electric field and conduction band nonparabolicity the nonlinear term of absorption coefficient rapidly increases by increasing incident optical intensity. In other words, the saturation in optical spectrum occurs at lower incident optical intensities.