Numerical analysis of absorption and transmission photoacoustic spectra of silicon samples with differently treated surfaces

This paper presents results of the photoacoustic (PA) spectral studies, of a series of silicon samples with differently prepared surfaces, in two PA experimental configurations, so-called, absorption and transmission ones. The PA amplitude spectra of the samples indicated existence of the damaged surface layers. In the paper, the two layer mathematical models of a sample with a damaged surface layer that were used for numerical interpretation of the amplitude PA spectra of the investigated samples, are presented and discussed.     

The photoacoustic spectroscopic investigations of the surface preparation of ZnSe crystals

This paper presents results of the photoacoustic (PA) spectral studies of a series of ZnSe crystals with differently prepared surfaces. All samples exhibited the surface absorption connected with defects states located on their surfaces. The quality of the surface preparation is expressed by the surface absorption coefficient spectra of the samples times the thickness of a damaged layer. In this paper both theoretical and experimental photoacoustic amplitude and phase spectra as also the corresponding computed surface and volume optical absorption coefficient spectra of the samples with differently prepared surfaces are presented and discussed. This is the first attempt of the quantitative evaluation of the surface quality of the samples from the photoacoustic experimental spectra.     

The photoacoustic spectroscopic investigations of the surface preparation of ZnSe crystals with the use of the optimization methods

This paper shows results of the photoacoustic (PA) spectral studies, with the microphone detection, of a series of ZnSe crystals with differently prepared surfaces. All samples exhibited the surface absorption connected with defects states located on their surfaces. The quality of the surface preparation is expressed by the surface absorption coefficient spectra of the samples times the thickness of a damaged layer. In this paper both theoretical and experimental photoacoustic amplitude and phase spectra as also the corresponding computed surface and volume optical absorption coefficient spectra of the samples with differently prepared surfaces are presented and discussed. The procedure of computations of the volume and surface absorption spectra with the use of the optimization method is presented in the paper too.     

Effects of boundary reflection on photoacoustic spectrum of porous silicon

Photoacoustic (PA) amplitude and phase spectra are studied on porous silicon (PS) samples. For the sample with a thinner PS layer and a rough interface observed by field-emission scanning electron microscope (FE-SEM), PA amplitude decays rapidly at short wavelengths but stays at a higher level above 650 nm compared with a sample with a thicker PS layer and a smooth interface. In this latter long-wavelength region, phase delay for the former sample is smaller. A model calculation for the two-layer model taking account of scattering of light in the porous media and interface reflection of light gives at least a qualitative explanation of these differences. Received: 30 June 1999 / Accepted: 11 October 1999 / Published online: 23 February 2000     

Photoacoustic spectroscopy of surface defects states of semiconductor samples

This paper presents both theoretical and experimental issues connected with measurements and numerical analysis of the microphone amplitude and phase photoacoustic spectra of semiconductor samples exhibiting surface absorption connected with defects states located on their surfaces. The analytical model of surface absorption in semiconductors is described and the results of computations are compared with experimental amplitude and phase spectra for Zn_0.965Be_0.035Se crystal samples. This paper shows the importance of the phase spectra for the proper interpretation of the PA (photoacoustic) results.     

Characterization of optical properties of Porous Silicon using Photoacoustic Technique

Photoacoustic absorption spectra of the porous silicon samples (P-Si) of different thickness and porosity percentage were measured at different modulation frequency. The absorption edge of the P-Si layer for all samples shows a blue shift from that of crystalline silicon (C-Si) at 1.1 eV. At low modulation frequency the estimated energy gap (1.88 eV) is almost the same for all samples and the PA signal increases as the porosity percentage increases. At the higher modulation frequency, the spectra show an increase in the energy gap indicating the effect of quantum confinement as the porosity increasing. The Raman shifts of the P-Si samples are correlated with the particle size leading to an estimated average particle size. The quantum confinement interpretation of the PA results is in agreement with the Raman measurements that indicate the presence of such nanostructure in the P-Si layer.     

Theory of X-ray photoacoustic spectroscopy

PhotoAcoustic Spectroscopy (PAS) in the X-ray region is becoming a new field in PAS research and poses some new problems, such as heat production mechanisms and non-exponential heat distribution due to multi-excitation processes, additional signals caused by escaped fluorescence and electrons, special backing and fronting setup for comparison with absorption experiment, etc. In this paper we treat these problems and include them in an extended theoretical model which can be reduced to the RG model in a special case. The results indicate that the non-exponential heat distribution has no effect on the PA phase. The contribution by gas heating of the escaped electrons can be neglected. The thermally thin gas layers between the sample and the Be windows are sensitive factors to both amplitude and phase. The PA signal generated in the backing gas layer by the backing surface of the sample should be considered to understand the frequency dependence of the PA signal. The expansion of the backing gas layer is the reason for the phase change in PA-EXAFS.     

An investigation of natural oxidation process on stain-etched nanoporous silicon by micro-Raman spectroscopy

Micro-Raman spectra of porous silicon (PS) samples as-formed, from stain etching process using heavily doped silicon wafers, and after 750 days storage in air were analyzed around Si peak (300-600 cm⁻¹) and at photoluminescence (PL) range (300-8000 cm⁻¹). The first-order Raman spectra in the vicinity of Si peak were fitted from phonon confinement model including a term taking into account the amorphous phase. This analysis allowed the determination of the correlation length, which corresponds to the crystallite size, also considering the PS natural oxidation process. The photoluminescence band, generated by Si crystallites located on the outermost part of the PS layer, was also fitted with a Gaussian distribution. In order to investigate the porous silicon nanostructure, the micro-Raman spectra were measured for different sets of porous silicon samples. These spectra showed good reproducibility and the effects of the natural oxidation at different periods. A slight decrease in the crystallite size was observed for all samples sets studied, while the spectral part related to the amorphous phase did not describe significant changes. The central position of PL band, analyzed after the oxidation process, exhibited consistently a shift to higher energies. In addition, top view high resolution scanning electron microscopy (HRSEM) images also confirmed a reasonable reproducibility and homogeneity. The results showed that after storing in air, natural oxidation can modify the Si crystallites size at the surface but not increase the amorphous phase.     

金刚石薄膜红外椭圆偏振参量的计算与拟合

用红外椭圆偏振仪对热丝化学气相沉积法制备的金刚石薄膜的光学参量进行了测量。由于表面状态和界面特性的差异，分别对镜面抛光硅片和粗糙氧化铝基片上的金刚石薄膜建立了不同的模型，并在此基础上进行了测试结果的计算拟合。为了综合反应诸如表面粗糙度等表面界面因素对测试结果的影响，根据衬底特性将表面层和界面层分离出来，并采用Bruggeman有效介质方法对它们的影响进行了近似处理。结果表明，硅衬底上金刚石薄膜的椭偏数据在模型引入了厚度为879nm的表面粗糙层之后能得到很好的拟合。而对于氧化铝衬底上的金刚石薄膜而言，除了在薄膜表面引入了粗糙层之外，还必须在衬底和金刚石界面处加入一层由体积分数为0．641的氧化铝、体积分数为0．2334的金刚石和体积分数为0．1253的空隙组成的复合过渡层(厚度995nm)，才能使计算值与实验参量很好地吻合。     

Piezoelectric photoacoustic spectroscopy of surface states of Zn0.81Be0.04Mg0.15Se mixed crystals

This paper presents basics of the space selective piezoelectric photothermal spectroscopy method. This method is illustrated with the experimental piezoelectric amplitude and phase spectra of ZnBeMgSe(4%Be, and 15%Mg) samples and with the corresponding optical transmission spectra. The fitting of theoretical curves computed in the piezoelectric space sensitive spectroscopy method to experimental data indicated the presence of surface states located on both surfaces of the sample. From the fitting procedure the optical absorption coefficient spectra connected with the surface absorption on both sides of the sample were determined.     

Photoacoustic spectra of Zn<Subscript>1-x</Subscript>Be<Subscript>x</Subscript>Te near the energy gap

The results of experimental studies of optical and structural properties in bulk crystals of Zn_1-xBe_xTe (x = 0.02, 0.06 and 0.12) were presented. The amplitude and phase photoacoustic (PA) spectra were measured and analyzed in dependence on the wavelength of the excitation optical beam, at different frequencies of modulation, using the PA microphone (PAmic) and PA piezoelectric (PApze) spectroscopy methods. The differences in PA spectra of as grown and annealed in zinc vapor samples were observed.     

Photoacoustic characterization of natural mineral pyrite (FeS<Subscript>2</Subscript>)

A single p-type crystal of the mineral, pyrite (FeS₂) was characterized photoacoustically using the transmission detection configuration. Photoacoustic (PA) amplitude and phase spectra were measured using a specially constructed PA cell. The PA signals of different sample thicknesses were measured using an experimental setup with a semiconductor red laser (80 mW) as the optical source. The obtained amplitude and phase spectra for different thicknesses were numerically analyzed enabling determination of thermal diffusivity, mobility of minority free carriers and other parameters characteristic for this material.     

单晶硅微纳构件加工表面性能的时变性研究

采用蒙特卡罗方法和分子动力学方法相结合, 模拟单晶硅微纳构件加工表面的时效过程, 研究其对加工表面质量和构件力学性能的影响. 模拟结果表明: 在时效过程中, 单晶硅微纳构件加工变质层的有序度显著提高, 残余应力大幅降低, 表面粗糙度略有增加, 此外还发现加工变质层中非晶硅原子在时效过程中大幅减少, 部分非晶硅出现了再结晶现象, 其中部分BCT5-Si以及金属相(Si-Ⅱ)结构原子转化为金刚石结构(Si-I). 时效作用对加工后单晶硅微纳构件表面性能具有重要的影响, 同时可以提高微纳构件的拉伸力学性能. 关键词： 蒙特卡罗方法 纳米加工 表面性能 时变性     

Optimized FIB silicon samples suitable for lattice parameters measurements by convergent beam electron diffraction

The aim of this paper is to check the effect of artefacts introduced by focused ion beam (FIB) milling on the strain measurement by convergent beam electron diffraction (CBED). We show that on optimized silicon FIB samples, the strain measurement can be performed with a sensitivity of about 2.5 × 10⁻⁴ which is very close to the theoretical one and we conclude that FIB preparation can be suitable for such measurements in microelectronic devices.

To achieve this, we first used CBED and electron energy loss spectroscopy (EELS) which provide a procedure permitting an exact knowledge of the sample geometry, i.e. the thickness of both amorphous and crystalline layers. This procedure was used in order to measure the FIB-amorphized sidewall layer. It was found that if the FIB preparation is optimized one can reduce this amorphous layer down to around 7 nm on each side. Secondly different preparation techniques (cleavage, Tripod™ and FIB) permit to check if the surface damaged layer introduced by FIB influences the strain state of the sample. Finally, it was found that the damaged layer does not introduce measurable strain in pure silicon but reduces appreciably the quality of the CBED patterns.     

Morphological and optical properties changes in nanocrystalline Si (nc-Si) deposited on porous aluminum nanostructures by plasma enhanced chemical vapor deposition for Solar energy applications

Photoluminescence (PL) spectroscopy was used to determine the electrical band gap of nanocrystalline silicon (nc-Si) deposited by plasma enhancement chemical vapor deposition (PECVD) on porous alumina structure by fitting the experimental spectra using a model based on the quantum confinement of electrons in Si nanocrystallites having spherical and cylindrical forms. This model permits to correlate the PL spectra to the microstructure of the porous aluminum silicon layer (PASL) structure. The microstructure of aluminum surface layer and nc-Si films was systematically studied by atomic force microscopy (AFM), transmission electron microscopy (TEM), Raman spectroscopy and X-ray diffraction (XRD). It was found that the structure of the nanocrystalline silicon layer (NSL) is dependent of the porosity (void) of the porous alumina layer (PAL) substrate. This structure was performed in two steps, namely the PAL substrate was prepared using sulfuric acid solution attack on an Al foil and then the silicon was deposited by plasma enhanced chemical vapor deposition (PECVD) on it. The optical constants (n and k as a function of wavelength) of the deposited films were obtained using variable angle spectroscopic ellipsometry (SE) in the UV-vis-NIR regions. The SE spectrum of the porous aluminum silicon layer (PASL) was modeled as a mixture of void, crystalline silicon and aluminum using the Cauchy model approximation. The specific surface area (SSA) was estimated and was found to decrease linearly when porosity increases. Based on this full characterization, it is demonstrated that the optical characteristics of the films are directly correlated to their micro-structural properties.     

Photoacoustic spectroscopy analysis of silicon crystals

A high resolution fully automated photoacoustic spectrometer (PAS) of the gas-microphone type is used in the photon energy region 0.8–1.6 eV to analyze the optical properties of silicon single crystals at different frequencies between 25 and 312 Hz. At modulating frequencies at which the sample thickness approaches its thermal diffusion length, the results obtained of untreated specimens using different PA cells reveal the presence of several peaks in the absorption tail, some of which are independent of the photon energy. The magnitude of these peaks is seen to be stronger than that of the maximum of the fundamental edge of silicon, thus making it indistinct. At lower modulating frequencies at which the sample thickness is far less than its thermal diffusion length and using a highly reflecting backing material, multiple reflections of the light beam within the sample interfaces are seen to enhance the PA amplitude signal sensitivity response as predicted theoretically. The effect of etching silicon samples in a diluted solution of hydrofluoric acid (5%) on photoacoustic spectra has been investigated. It is observed that this process removes all spurious features in the spectra originating from the surface contaminants making the fundamental absorption edge clearly visible and leaving only one distinct peak at hν=0.9 eV. Transmission-photoacoustic (T-PAS) has also been used to study silicon single crystals. In the light of recent literature a comparison is carried out between the results obtained using the two techniques in determining the absorption coefficient and the gap energy.     

Evaluation of repeated single-point diamond turning on the deformation behavior of monocrystalline silicon via molecular dynamic simulations

A three-dimensional molecular dynamics simulation study is conducted to investigate repeated single-point turnings of a monocrystalline silicon specimen with diamond tools at nanometric scale. Morse potential energy function and Tersoff potential energy function are applied to model the silicon/diamond and silicon/silicon interactions, respectively. As repeated nano-cutting process on surfaces often involve the interactions between the consequent machining processes, repeated single-point diamond turnings are employed to investigate the phase transformation in the successive nano-cutting processes. The simulation results show that a layer of the damaged residual amorphous silicon remained beneath the surface after the first-time nano-cutting process. The amorphous phase silicon deforms and removes differently in the second nano-cutting process. By considering the coordination number (CN) of silicon atoms in the specimen, it is observed that there is an increase of atoms with six nearest neighbors during the second nano-cutting process. It suggests that the recovery of the crystalline phase from the amorphous phase occurred. Moreover, the instantaneous temperature distributions in the specimen are analyzed. Although the tangential force (F _X ) and the thrust force (F _Y ) become much smaller in the second cutting process, the material resistance rate is larger than the first cutting process. The larger resistance also induces the increase of local temperature between the cutting tool and the amorphous layer in the second cutting process.     

Piezoelectric spectroscopic studies of Zn<Subscript>1-x-y</Subscript>Be<Subscript>x</Subscript>Mn<Subscript>y</Subscript>mixed crystals

This paper presents results of experimental and theoretical piezoelectric studies of a group of mixed crystals of the type Zn_{1 - x - y}Be_xMn_ySe. The fittings of theoretical to experimental amplitude and phase piezoelectric spectra were performed in a modified Jackson and Amer model. The influence of the surface treatment such as grinding, polishing and etching on the PZE spectra is analysed in the model of surface defects applied for the interpretation of the spectra for energies of photons below the energy gap of the crystal.     

On the insulating properties of the interfacial layer between ion bombarded-amorphous and crystalline silicon

After bombarding silicon single crystals with heavy neon ion doses, the resulting amorphous surface layer has been found to be electrically insulated from the underlying bulk material. Current-voltage characteristics indicate the formation of a junction between the crystalline and the damaged layer. As a consequence, the electrical properties of the amorphous layer can be measured at low temperatures up to about 230 K and considerably beyond room temperature, if thick crystal wafers and silicon-on-sapphire (SOS) samples, respectively, are used.