饱和一元醇远红外光谱的测试及仿真研究

用衰减全反射傅里叶光谱仪(FTIR-ATR)在室温条件下测试了甲醇、乙醇、丙醇、异丙醇、丁醇及异丁醇六种饱和一元醇在30～300 cm-1波段的远红外透射光谱。通过分析这六种具有类似化学结构的一元醇的远红外透射光谱,发现它们在30～150 cm-1波段均有明显的吸收峰,但在150～300 cm-1波段吸收峰不明显; 羟基在一元醇中的质量百分比越高,相关一元醇的远红外光谱的平均透过率越低; 直链一元醇的光谱平均透过率高于支链状的同分异构体。采用密度泛函理论B3LYP/6-311G(d,p)基组对甲醇单体和多聚体进行结构优化和频率计算。计算显示,在30～150 cm-1波段甲醇单体分子没有出现吸收峰,但是甲醇的多聚体则出现明显的吸收峰,计算得到的多聚体吸收峰位置与实际测量的结果相符合。结果表明,甲醇在太赫兹波段吸收的来自于不同形式聚合体的集体振动,甲醇溶液以甲醇三聚体为主要的存在形式。本成果不仅为研究有机分子在太赫兹波段的频率响应提供了新的实验方法,而且对进一步利用FTIR-ATR研究其他有机分子具有借鉴意义。     

Josephson plasma resonance and phonon anomalies in trilayer Bi2Sr2Ca2Cu3O10

The far-infrared (FIR) c axis conductivity of a Bi2223 crystal has been measured by ellipsometry. Below T(c) a strong absorption band develops near 500 cm(-1), corresponding to a transverse Josephson plasmon. The related increase in FIR spectral weight leads to a giant violation of the Ferrell-Glover-Tinkham sum rule. The gain in c axis kinetic energy accounts for a sizable part of the condensation energy. We also observe phonon anomalies which suggest that the Josephson currents lead to a drastic variation of the local electric field within the block of closely spaced CuO2 planes.     

氮流量在高氢氛围中对富硅氮化硅薄膜材料结构及其发光特性的影响

采用等离子体增强化学气相沉积技术,以N₂掺入到SiH₄和H₂的沉积方式,分别在玻璃和N型单晶硅片(100)衬底上制备富硅氮化硅薄膜。通过紫外-可见光吸收光谱、傅里叶变换红外吸收光谱(FTIR光谱)、拉曼光谱和光致发光谱(PL谱)分别表征掺氮硅薄膜材料的带隙、结构及其发光特性的变化。结果表明：在氢气的氛围中,随着氮气流量的增加,氢原子能够对薄膜缺陷起到抑制作用,并使较低的SiH₄/N₂流量比下呈现富硅态,但却不利于硅团簇的形成。随着氮原子的掺入,Si—N键的含量增大,带隙增大,薄膜内微结构的无序度也增大,薄膜出现了硅与氮缺陷相关的缺陷态发光;随着氮原子进一步增加,出现了带尾态发光,进一步讨论了发光与结构之间的关联。这些结果有助于采用PECVD制备富硅氮化硅对材料发光与结构特性的优化。     

镶嵌在氢化氮化硅中纳米非晶硅粒子光吸收的模拟

采用量子限制效应模型对镶嵌有纳米非晶硅粒子的氢化氮化硅薄膜的光吸收进行了理论模拟,探讨了由吸收谱分析给出该结构薄膜光学参数的方法,并通过对不同氮含量样品的讨论给出了量子限制效应和纳米硅粒子表面的结构无序对薄膜光吸收特性的影响规律。分析结果表明,随氮含量的增加,薄膜有效光学带隙增大,该结果与薄膜中纳米硅粒子平均尺寸的减小引起的量子限制效应的增强相关,而小粒度纳米硅粒子比例增加所引入的较高微观结构无序度和较多缺陷将会导致薄膜低能吸收区吸收系数增加。     

微晶硅薄膜的结构及光学性质的研究

借助RF-PECVD辅助RTP技术，采用高沉积气压的技术路线制备了优质的微晶硅薄膜，并利用拉曼光谱、反射谱和透射谱分别研究了微晶硅的晶化率和光学性质.实验中发现微晶硅的吸收边出现了相对红移，此相对红移可归结于薄膜晶化率的提高和带尾态密度的降低. 关键词： 微晶硅 拉曼光谱 快速热处理 红移     

Absorption measurement of strained SiGe nanostructures deposited by UHV-CVD

In order to obtain a low band gap photocell based on the widely spread silicon technology, e.g. for thermophotovoltaics, SiGe nanostructures can be introduced into a monocrystalline silicon photocell. Beforehand, it is necessary to know the absorption coefficient of the SiGe quantum wells. On a silicon (1 0 0) substrate multiple Si/SiGe quantum well structures were grown by UHV-CVD. The Ge concentration and the well width were used as growth parameters. To obtain significant absorption, the experiment was set up to allow for 200 internal reflections.The total reflection of the light results in a standing electromagnetic wave. The absorption coefficient was obtained from the experimental data taking the geometry and the electric field distribution in the absorbing layer into account. The influence of well width and germanium content on the absorption was investigated with the goal of maximizing the absorption for photons with energies below the band gap energy of silicon. The measurement results are compared with a theoretical model, which takes the band structure of strained SiGe including confinement effects into account.     

QHE and far infra-red properties of bilayer graphene in a strong magnetic field

We describe the quantum Hall effect (QHE) and far infra-red (FIR) absorption properties of bilayer graphene in a strong magnetic field and contrast them with the weak field regime. This includes a derivation of the effective low energy Hamiltonian for this system and the consequences of this Hamiltonian for the sequencing of the Landau levels in the material: The form of this effective Hamiltonian gives rise to the presence of a level with doubled degeneracy at zero energy. The effect of a potential difference between the layer of a bilayer is also investigated. It is found that there is a density-dependent gap near the K points in the band structure. The consequences of this gap on the QHE are then described. Also, the magneto-absorption spectrum is investigated and an experiment proposed to distinguish between model ground states of the bilayer quantum Hall effect system based on the different absorption characteristics of right-handed and left-handed polarisation of FIR light. Finally, the effects of trigonal warping are taken into account in the absorption picture.     

Numerical study of femtosecond laser-assisted atom probe tomography

We investigate the mechanisms of a laser-assisted atom probe tomography technique. In this method, a sub-wavelength tip is subjected both to a very strong static electric field and to a femtosecond laser pulse. As a result, ions are ejected from the tip one by one. By using femtosecond lasers, one can analyze not only metals but also semiconductors and dielectric materials. To better understand the ejection process, a numerical model is developed based on the drift-diffusion approach. The model accounts for such effects as field penetration, hole and electron movement, and laser absorption. For the given value of the dc field, a substantial band bending and an increase in hole density at the surface of the silicon tip are observed. This bending effect changes silicon absorption coefficient at the surface and significantly increases recombination time of laser-induced carriers.     

基于第一性原理计算的掺杂柔性黑硅吸收光谱特性分析

针对宽波段微型光谱仪缺乏宽波段柔性探测器这一难题,提出了一种在紫外-可见-近红外波段内具有高吸收效率的掺杂柔性黑硅作为探测器吸光材料。首先,基于第一性原理计算了S和F元素掺杂后柔性黑硅的电子结构、能带结构和紫外-可见-近红外波段的光学吸收特性,得到了不同元素及浓度掺杂时,柔性黑硅的光学吸收系数。其次,将第一性原理计算结果与时域有限差分算法相结合,建立了柔性黑硅的吸收光谱模型。结果表明,掺入S和F元素后柔性黑硅的能带带隙均减小,吸收截止波长发生红移,且掺杂浓度越高,光学吸收系数越大。在1 500 nm波长处,50%浓度的S元素掺杂黑硅的吸光系数是1.5%浓度的S元素掺杂黑硅的吸光系数的8.3倍,50%浓度的F元素掺杂黑硅的吸光系数是1.5%浓度的F元素掺杂黑硅的吸光系数的3倍。在相同掺杂条件下,表面具有小尺寸微结构的柔性黑硅在近红外波段具有最高的吸收效率。最后,测试了制作的柔性黑硅样品,其吸光效率在紫外-可见波段高于95%,在近红外波段为70%~80%。     

Direct observation of split-off exciton and phonon structures in absorption spectrum of silicon

The split-off band exciton of silicon has been observed in the absorption spectrum by using a wavelength modulation technique. The spin-orbit splitting of the valence band is determined to be 44.1 ± 0.3 meV at 1.8 °K. The structures associated with some two-phonon indirect transitions have also been observed in the absorption spectrum.     

Ni掺杂浓度对硅纳米线光电性质的影响

利用基于密度泛函理论的第一性原理,对不同直径和浓度Ni掺杂硅纳米线的形成能、能带结构、态密度和光学性质进行了计算,结果表明：杂质Ni的形成能随硅纳米线直径的减小和掺杂浓度的降低而下降,这说明直径越大的硅纳米线掺杂越困难,杂质浓度越高的硅纳米线越不稳定. Ni掺杂在费米能级附近及带隙中引入杂质能级,其主要来自Ni的3d轨道,杂质能级扩展成杂质带,改变Ni的掺杂浓度可改变硅纳米线的带隙,改善其导电性. 另外,还发现掺杂浓度明显改变了硅纳米线的吸收强度和宽度.     

硅的间接跃迁双光子吸收系数谱

利用皮秒Nd:YAG脉冲激光器作为激发光源,测量出光子能量介于1.36 μm (0.912 eV)—1.80 μm (0.689 eV)之间的硅间接跃迁双光子吸收系数谱.尽管此波段范围内的激光光子能量小于硅间接带隙,但当激光辐照在硅基光电二极管受光面时,在二极管两电极端仍然探测到了显著的脉冲光伏信号.光伏信号峰值强度与入射光强呈二次幂函数关系,表明其是双光子吸收过程.采用pn结等效结电容充放电模型,将光伏响应信号峰值与入射光强相关联,从中提取出硅的间接跃迁双光子吸收系数,改变入射波长得到系数谱.研究表明:     

Photoacoustic investigations of the optical absorption spectra of porous silicon layers on a silicon backing

This paper presents a series of experimental photoacoustic spectra of porous silicon layers on crystalline silicon and their numerical analysis performed in the proposed two-layer model. The goal of the analysis was to calculate the optical absorption spectra of porous silicon from the photoacoustic spectra of porous silicon layers on a silicon background. The experimental character of the observed absorption band associated with the porous silicon was revealed. This is the first attempt at a theoretical interpretation of the photoacoustic spectra of porous silicon on a silicon backing.     

Elucidating the role of non-radiative processes in charge transfer of core–shell Si–SiO2 nanoparticles

Crystalline silicon is the most commonly used material in photovoltaics but has limitations due to its high cost and non-tunable band gap. A new approach of using inexpensive, non-toxic materials with layers that have different band gaps which absorb a wide range of the solar spectrum has the potential to dramatically increase the efficiencies and lower the costs. Core–shell Si–SiO₂ nanoparticles are ideally suited for the photovoltaic application and have been synthesised by different groups in an array of sizes allowing for absorption in a wide spectral range. A theoretical investigation of fundamental charge transfer processes in these systems can potentially lead to improved devices. Calculations on a model core–shell interface with the formula Si₂₆₄O₁₆₀ which features a silicon layer sandwiched between two SiO₂ layers were performed using the Vienna ab initio software package. The Perdew–Burke–Ernzerhof functional in the basis of plane waves was used along with pseudopotentials to simulate electronic structure. The nuclear motion was considered using ab initio molecular dynamics. The density of states, absorption spectrum, partial charge densities, and radiative recombination lifetimes have been calculated. This interface shows quantum confinement behaviour similar to a particle in a box. The role of non-radiative recombination was also determined by relaxation dynamics.     

Nanocrystal and interface defects related photoluminescence in silicon-rich Al2O3 films

In this study, silicon nanocrystal-rich Al₂O₃ film has been prepared by co-sputtering a silicon and alumina composite target and subsequent annealing in N₂ atmosphere. The microstructure of the film has been characterized by infrared (IR) absorption, Raman spectra and UV-absorption spectra. Typical nanocrystal and interface defects related photoluminescence with the photon energy of 1.54 (IR band) and 1.69 eV (R band) has been observed by PL spectrum analysis. A post-annealing process in oxygen atmosphere has been carried out to clarify the emission mechanism. Despite the red shift of the spectra, enhanced emission of the 1.69 eV band together with the weak emission phenomenon of the 1.54 eV band has been found after the post-annealing. The R band is discussed to originate from silicon nanocrystal interface defects. The IR band is concluded to be a coupling effect between electronic and vibrational emissions.     

Characterization of thermal, optical and carrier transport properties of porous silicon using the photoacoustic technique

In this work, the porous silicon layer was prepared by the electrochemical anodization etching process on n-type and p-type silicon wafers. The formation of the porous layer has been identified by photoluminescence and SEM measurements. The optical absorption, energy gap, carrier transport and thermal properties of n-type and p-type porous silicon layers were investigated by analyzing the experimental data from photoacoustic measurements. The values of thermal diffusivity, energy gap and carrier transport properties have been found to be porosity-dependent. The energy band gap of n-type and p-type porous silicon layers was higher than the energy band gap obtained for silicon substrate (1.11 eV). In the range of porosity (50-76%) of the studies, our results found that the optical band-gap energy of p-type porous silicon (1.80-2.00 eV) was higher than that of the n-type porous silicon layer (1.70-1.86 eV). The thermal diffusivity value of the n-type porous layer was found to be higher than that of the p-type and both were observed to increase linearly with increasing layer porosity.     

光泵分子气体远红外光谱的AC Stark效应

本文应用图论法研究光泵激光气体分子的波谱特性。假定了:1.分子与外来信号场相互作用输运过程中只涉及到六个能级;2.泵场强远大于探测场强。在这些假定下求解密度矩阵方程,获得一套反映受激分子波谱特性的解析表达式。应用这些表达式,可求得不同频率的泵场作用下分子气体的远红外波谱特性。本文特别叙述分子振动基态远红外光谱的AC aStark效应。结果表明:在谐振点AC aStark分裂的值与C.H.Townes所得结果基本相同,在受激发射和吸收共存的情况下,特性曲线的总趋向与他的结果基本一致。调谐曲线有些部份反映发射特性,有些部份反映吸收特性,在发射和吸收的过渡部份,吸收和发射都很小,而且具有特殊的过渡特性。     

Optical properties of silicon microcolumn grown by nanosecond pulsed laser irradiation

We have investigated the optical properties of silicon pillars formed by cumulative nanosecond pulsed excimer laser irradiation of single-crystal silicon in vacuum created under different repetition rates. The changes in optical characteristics of silicon pillar were systematically determined and compared as the number of KrF laser shots was increased from 1 to 15,000.The results show that silicon pillar PL curves exhibit a blue band around 430 nm and an ultraviolet band peaking at 370 nm with the vanishing of the green emission at 530 nm. A correlation between the intensity of the blue PL band and the intensity of the Si-O absorption bands has been exploited to explain such emission, whereas, the origin of the ultraviolet band may be attributed to different types of defects in silicon oxide.     

激光诱导多孔硅晶格畸变的Raman光谱和光致发光谱研究

研究了掺钛水热法制备多孔硅的Raman光谱和光致发光谱.实验发现,当激光功率较低时,多孔硅的Raman光谱在略低于520cm^-1附近表现为一锐的单峰,和晶体硅的Raman光谱类似.随激光功率增大,该单峰向低波数移动,Raman和光致发光峰的强度与激光强度的一次方成正比.当激光功率增大到一定值时,该单峰分裂成两个Raman峰,光致发光谱的强度突然增大,与激光强度之间不再满足一次方的关系,位于低波数一侧的Raman峰随激光功率增大进一步向低波数移动.多孔硅Raman光谱随激光功率的变化是 关键词： 多孔硅 Raman光谱 光致发光     

Interplay between phonon confinement effect and anharmonicity in silicon nanowires

Getting light out of silicon is a difficult task since the bulk silicon has an indirect energy electronic band gap structure. It is expected that this problem can be circumvented by silicon nanostructuring, since the quantum confinement effect may cause the increase of the silicon band gap and shift the photoluminescence into the visible energy range. The increase in resulting structural disorder also causes the phonon confinement effect, which can be analyzed with a Raman spectroscopy. The large phonon softening and broadening, observed in silicon nanowires, are compared with calculated spectra obtained by taking into account the anharmonicity, which is incorporated through the three and four phonon decay processes into Raman scattering cross-section. This analysis clearly shows that the strong shift and broadening of the Raman peak are dominated by the anharmonic effects originating from the laser heating, while confinement plays a secondary role.