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。     

电子回旋共振等离子体增强沉积氟化非晶碳薄膜的光学性质

用紫外可见光透射光谱(UV-VIS)并结合键结构的X射线光电子能谱(XPS)和红外谱(FTIR)分析,研究了电子回旋共振等离子体增强化学气相沉积法制备的氟化非晶碳薄膜的光吸收和光学带隙性质.在微波功率为140—700W、源气体CHF₃∶C₆H₆比例为1∶1—10∶1条件下沉积的薄膜,光学带隙在1.76—2.85eV之间.薄膜中氟的引入对吸收边和光学带隙产生较大的影响,吸收边随氟含量的提高而增大,光学带隙则主要取决于CF键的含量,是由于强电负 关键词： 氟化非晶碳薄膜 光吸收与光学带隙 电子回旋共振等离子体     

立方氮化硼薄膜的光学带隙

用射频溅射法在p型Si(100)衬底上沉积立方氮化硼(c-BN)薄膜,薄膜的成分由傅里叶变换红外谱标识,用紫外-可见分光光度计测量了c-BN薄膜的反射光谱,利用K-K(Kramers-Kroning)关系从反射谱计算出c-BN薄膜的光吸收系数,进而确定c-BN薄膜的光学带隙.对于立方相含量为55.4%的c-BN薄膜,光学带隙为5.38eV. 关键词： 立方氮化硼薄膜 光学带隙 K-K关系     

石英玻璃中5.0 eV吸收带的起源

从吸收强度的角度出发研究石英玻璃中５．０ｅＶ光吸收带的起源。利用实验和理论给出的非驰豫氧空位缺陷态的能级,并以第一原理计算得到的石英玻璃导带电子态密度为基础,计算了５．０ｅＶ线性吸收系数。理论结果与实验结果符合得比较好,人而支持了非驰豫氧空位缺陷态是石英玻璃中５．０ｅＶ光吸收带的起源的观点。     

氮化硅薄膜中纳米非晶硅颗粒的键合结构及光致发光

采用螺旋波等离子体化学气相沉积技术以N₂/SiH₄/H₂为反应气体制备了镶嵌有纳米非晶硅颗粒的氢化氮化硅薄膜,通过改变N₂流量实现了薄膜从红到蓝绿的可调谐光致发光.傅里叶红外透射和紫外-可见光吸收特性分析表明,所生长薄膜具有较高的氢含量,N₂流量增加使氢的键合结构发生变化,非晶硅颗粒尺寸减小,所对应的薄膜的光学带隙逐渐增加和微观结构有序度减小.可调光致发光(PL)主要来源于纳米硅颗粒的量子限制效应发光,随N₂流量增加,PL的谱线展宽并逐渐增强. 关键词： 傅里叶红外透射谱 光吸收谱 纳米硅粒子镶嵌薄膜 光致发光     

氧分压对磁控溅射制备ZnO薄膜的结构及光学特性的影响

采用射频反应磁控溅射法在玻璃衬底上成功制备出具有c轴高择优取向的ZnO薄膜,利用X射线衍射及紫外-可见吸收和透射光谱研究了氧分压变化对ZnO薄膜的微观结构及光吸收特性的影响。结果表明,当工作气压恒定时,用射频反应磁控溅射制备的ZnO薄膜的生长行为主要取决于成膜空间中氧的密度,合适的氧分压能够提高ZnO薄膜的结晶质量;薄膜在可见光区的平均透过率达到90%以上,且随着氧分压的增大,薄膜的光学带隙发生了一定程度的变化。采用量子限域模型对薄膜的光学带隙作了相应的理论计算,计算结果与对样品吸收谱所作的拟合结果符合较好,二者的变化趋势完全一致,表明ZnO纳米晶粒较小时,薄膜光学带隙的变化与量子限域效应有很大关系。     

ZnS/CdSe量子点中线性和三阶非线性光吸收系数研究

在有效质量近似下,利用量子力学的密度矩阵理论,采用无限深势阱模型,从理论上研究了ZnS/CdSe柱型核壳结构量子点中线性和三阶非线性光吸收系数。导出了柱型量子点中线性和三阶非线性光学吸收系数的解析表达式,分析了该系统在不同条件下线性和三阶非线性光吸收系数与入射光频率之间的关系。改变系统的参数,该系统的光吸收系数呈规律性变化。计算结果表明:弛豫时间τ、入射光强I和壳半径R2对系统的吸收系数α有很大的影响,从而为实验上研究核壳结构量子点的非线性光学效应提供了必要的理论依据。     

纳米硅结构薄膜光致发光的温度依赖特性

综合考虑纳米硅结构薄膜的特殊性质,如量子限制效应、光学带隙和光跃迁振子强度对纳米硅粒径的依赖特性以及光学带隙和光辐射的温度依赖特性等,给出了一个解析表达式来分析具有一定粒径分布的纳米硅结构薄膜的光致发光(PL)强度分布,其中选取了两种纳米硅的粒径分布,即高斯分布和对数正态分布。结果表明,随着平均粒径和粒径分布偏差的减小,纳米硅薄膜的PL谱峰蓝移。随着环境温度的升高,纳米硅结构薄膜的PL谱峰红移且相对发光强度减弱。纳米硅结构薄膜光辐射拟合的结果与实验数据的比较分析表明,该模型能够很好地解释纳米硅结构薄膜在不同温度下的PL特性。     

薄膜硅的变隙问题及隙态分布

用电子束蒸发的方法制备可变光学带隙薄膜硅材料, 给出了研究结果. 介绍了一种做透过率曲线切线确定薄膜光学带隙的简易方法, 给出了制备工艺和条件, 以及各种材料的隙态分布图. 实验发现, 材料的光学带隙宽度不但与量子尺度效应有关, 而且与缺陷形成的势垒高度和宽度以及有序短程(原子串)长度有关; 给出了常规硅材料的光学带隙与原子串长度的关系. 计算表明, 随着原子串长度的加大, 势阱中的电子液面升高, 载流子受缺陷势垒的散射减弱; 在原子串长度较低的情况下, 电子液面不总是随着原子串长度升高, 而是有较大的涨落, 形成锯齿状波动.计算还发现, 在势垒宽度与原子串长度之比不变的情况下, 电子液面还与势垒高度有关. 关键词： 薄膜硅 可变光学带隙 隙态分布 电子液面涨落     

表面修饰的二氧化钛纳米材料的结构相变和光吸收性质

采用胶体化学法制备表面修饰的二氧化钛纳米材料，并使用XRD，TEM，UV-vis光谱等手段研究表面修饰的二氧化钛纳米微粒的结构相变和光吸收性质.结果表明，表面修饰可以改变二氧化钛的晶化行为、加快锐钛矿→金红石的相变进程、引起二氧化钛纳米粒子的光吸收带边大幅度红移.光吸收系数与光子能量之间关系的计算分析显示，在吸收带边附近，二氧化钛纳米微粒溶胶及二氧化钛纳米薄膜的(αhν)^1/2vs hν(间接)和(αhν)² vs hν(直接)均呈线性关系，其间接和直接光学带隙能可以分别通过外推这种线性关系来测量. 关键词： 二氧化钛纳米材料 结构相变 表面改性 光吸收     

Optical absorption in PECVD deposited thin hydrogenated silicon in light of ordering effects

We report results obtained from measurements of optical transmittance spectra carried out on a series of silicon thin films deposited by plasma-enhanced chemical vapour deposition (PECVD) from silane diluted with hydrogen. Hydrogen dilution of silane results in an inhomogeneous growth during which the material evolves from amorphous hydrogenated silicon (a-Si:H) to microcrystalline hydrogenated silicon (μc-Si:H). Spectral refractive indices and absorption coefficients were determined from transmittance spectra. The spectral absorption coefficients were used to determine the Tauc optical band gap energy, the B factor of the Tauc plots, E ₀₄ (energy at which the absorption coefficient is equal to 10⁴ cm⁻¹), and the Urbach energy as a function of the hydrogen dilution. The results were correlated with microstructure, namely volume fractions of the amorphous and crystalline phase with voids, and with the grain size.      

衬底温度和硼掺杂对p型氢化微晶硅薄膜结构和电学特性的影响

以B₂H₆为掺杂剂,采用射频等离子体增强化学气相沉积技术在玻璃衬底上制备p型氢化微晶硅薄膜.研究了衬底温度和硼烷掺杂比对薄膜的微结构和暗电导率的影响.结果表明：在较高的衬底温度下很低的硼烷掺杂比即可导致薄膜非晶化;在实验范围内,随着衬底温度升高薄膜的晶化率单调下降,暗电导率先缓慢增加然后迅速下降,变化趋势与硼烷掺杂比的影响极为相似.最后着重讨论了p型氢化微晶硅薄膜的生长机理. 关键词： p型氢化微晶硅薄膜 衬底温度 晶化率 电导率     

Investigation of the formation of silicon nanocrystals by annealing of amorphous SiCx/c-Si structures

In this work, we study the changes in the optical properties of 300-nm-thick hydrogenated amorphous silicon carbide layers after an annealing process. Both intrinsic and phosphorus-doped amorphous silicon carbide layers (a-SiC_x:H) were deposited on silicon wafers by plasma enhanced chemical vapour deposition (PECVD) at 400 °C and annealed in a quartz furnace at 800 °C. The presence of randomly oriented silicon nanocrystals was confirmed by X-ray diffraction (XRD) measurements after the partial recrystallization process only in the doped layers. The presence or the absence of the nanocrystals clearly changes the Fourier transform infrared (FTIR) spectra. From the fitting of the experimental curves with the model of Lorentz oscillators, the refractive index and the extinction coefficient of the different layers were obtained.     

Photo-absorption spectra of small hydrogenated silicon clusters using the time-dependent density functional theory

We present a systematic study of the photo-absorption spectra of various Si_nH_m clusters using the time-dependent density functional theory (TDDFT). The method uses a real-time, real-space implementation of TDDFT involving full propagation of the time dependent Kohn-Sham equations. Our results for SiH₄ and Si₂H₆ show good agreement with the earlier calculations and experimental data. We study the photo-absorption spectra of silicon clusters as a function of hydrogenation. For single hydrogenation, we find that in general, the absorption optical gap decreases showing a significant red shift for small sized clusters and as the number of silicon atoms increases the effect of a single hydrogen atom on the optical gap diminishes. For further hydrogenation the optical gap increases and for the fully hydrogenated clusters the optical gap is larger compared to corresponding pure silicon clusters corresponding to a blue shifted spectra.     

Nanoindentation of hydrogenated amorphous silicon

Nanoindentation was carried out on thin films of hydrogenated amorphous silicon (a-Si:H) prepared by plasma-enhanced chemical vapor deposition. The composite values of elastic (Young's) modulus, E _c, and hardness, H _c, of the film/substrate system were evaluated from the load–displacement curves using the Oliver–Pharr approach. The film-only parameters were obtained employing the extrapolation of the depth profiles of E _c and H _c. Scanning probe microscopy was employed to image the nanoindenter impressions and to estimate the effect of film roughness and material pile-up on the testing results. It was established that the elastic modulus of thin a-Si:H films is in the range 117–131 GPa, which is lower than for crystalline silicon. In contrast, the values of hardness are in the range 12.2–12.7 GPa, which is comparable to crystalline silicon and higher than for hydrogen-free amorphous silicon. It is suggested that the plastic deformation of a-Si:H proceeds through plastic flow and it is the presence of hydrogen in the amorphous matrix that leads to a higher hardness.     

Thermally induced defect photoluminescence in hydrogenated amorphous silicon

The intrinsic defect photoluminescence of hydrogenated amorphous silicon (a-Si:H) films has been investigated at high intensities of optical pumping that lead to heating of the film. It has been revealed that, for short heating times, the intensity of the defect photoluminescence increases exponentially with an increase in the temperature with an activation energy of 0.85 eV, which is considerably higher than the activation energy (∼0.2 eV) determined from experiments on classical annealing. This and other experimental results on the temperature dependence of the intensity and kinetics of the defect photoluminescence have been explained in terms of the “hydrogen glass” model by thermally induced generation of intrinsic defects in amorphous silicon. The results of the calculations are in good agreement with the experimental data on the defect photoluminescence that reflects the formation and annihilation of defects for short heating times under optical excitation.     

Amorphous silicon waveguides grown by PECVD on an Indium Tin Oxide buried contact

Low-loss hydrogenated amorphous silicon (α-Si:H) waveguides were realized by plasma enhanced chemical vapour deposition (PECVD) on a transparent conductive oxide (TCO) layer which is intended to provide the buried contact in active devices, e.g. switches and modulators. In particular we propose a technological solution to overcome both the strong reduction in optical transmittance due to the very high extinction coefficient of metal contacts and, at the same time, the optical scattering induced by the texturization effect induced in α-Si:H films grown on TCO. The realized waveguides were characterized in terms of propagation losses at 1550 nm and surface roughness. The experimental performances have been compared to those obtained through calculations using an optical simulation package. The results are found to be in agreement with the experimental data.     

Spatial versus quantum confinement in porous amorphous silicon nanostructures

Light-emitting porous amorphous silicon has been produced by anodization in HF of hydrogenated amorphous silicon films. The maximal thickness of the porous films is limited by the onset of an instability which results in the formation of large channels short-circuiting the amorphous layer. This is due to the high resistivity of the amorphous silicon films as compared to that of the electrolyte. Confinement effects on the electron wavefunction are analyzed in situ using photoluminescence measurements in hydrofluoric acid and compared to those observed in porous crystalline silicon. For crystalline silicon, a huge blue shift of the photoluminescence is observable upon reducing the size of the structures by photo-etch, showing clear evidence of quantum confinement effects in this material. No shift has been observed when carrying out the same experiment with amorphous silicon. This indicates that the extent of the wavefunction in the bandtail states involved in luminescence is too small to be sensitive to confinement down to the minimum sizes of our porous material ( 3 nm). Measurements of the width and the temperature dependence of the photoluminescence demonstrate that the Urbach energy does not change upon increasing the porosity, i.e., upon decreasing the size of the a-Si:H nanostructures, in contradiction with what has been reported in ultrathin a-Si:H multilayers. Received: 3 August 1998     

Evolution of infrared spectra and optical emission spectra in hydrogenated silicon thin films prepared by VHF-PECVD

A series of hydrogenated silicon thin films with varying silane concentrations have been deposited by using very high frequency plasma enhanced chemical vapor deposition (VHF-PECVD) method. The deposition process and the silicon thin films are studied by using optical emission spectroscopy (OES) and Fourier transfer infrared (FTIR) spectroscopy, respectively. The results show that when the silane concentration changes from 10% to 1%, the peak frequency of the Si—H stretching mode shifts from 2000 cm ^{- 1} to 2100 cm ^{- 1}, while the peak frequency of the Si—H wagging—rocking mode shifts from 650 cm ^{- 1} to 620 cm ^{- 1}. At the same time the SiH^*/H_α intensity ratio in the plasma decreases gradually. The evolution of the infrared spectra and the optical emission spectra demonstrates a morphological phase transition from amorphous silicon (a-Si:H) to microcrystalline silicon (μc-Si:H). The structural evolution and the μc-Si:H formation have been analyzed based on the variation of H_α and SiH^* intensities in the plasma. The role of oxygen impurity during the plasma process and in the silicon films is also discussed in this study.