The simulation of two-beam high-dose ion implantation into solid targets

A physicomathematical model and a BEAM2HD program for the dynamic simulation of one-and two-beam high-dose ion implantation into multilayer and multicomponent targets are developed. The number of target layers is no more than three, and the number of sorts of atoms in each of the layers is no more than seven. The simulation is performed by the Monte Carlo method. Numerical results for the formation of C _x→3N _y→4 superhard layers by two-beam high-dose implantation of nitrogen ions into the Si₃N₄/C/Si₃N₄/Si system are presented.     

Role of ion energy flux on the structural and morphological properties of silicon oxy-nitride composite films deposited by plasma focus device

ABSTRACT

Crystalline silicon oxy-nitride (SiON) composite films are deposited on Si substrate for multiple (5, 15, 25 and 50) focus shots (FS) by plasma focus device. The X-rays diffraction patterns reveal the development of various diffraction peaks related to Si, Si₃N₄, and SiO₂ phases which confirms the formation of SiON composite film. The intensity of Si₃N₄ (1 0 2) plane is linearly increased with the increase of FS. The Si₃N₄ (1 0 2) phase does not nucleate for 5 FS. Raman analysis confirms the formation of β–Si–N phase. Raman and Fourier transform infrared spectroscopy analysis reveals that the strength of chemical bonds like Si–N, Si–O formed during the deposition process of SiON composite films is associated with the bonds intensity which in turn depends on the number of FS. The field emission scanning electron microscopic analysis reveals that the surface morphology like size, shape and distribution of micro/nano-dimensional particles, film compactness and the formation of micro-rods, micro-teethes and micro-tubes of SiON composite films is entirely associated with the rise in substrate surface transient temperature which in turn depends on the increasing number of FS. The EDX spectrum confirms the presence of Si (22.5?±?4.7 at. %), N (13.4?±?4.5 at. %) and O (54.7?±?11.3 at. %) in the SiON composite film. The thickness of SiON composite film deposited for 50 FS is found to ～15.47?µm.     

Pulsed CO2 laser-driven production of ultrafine silicon,silicon carbide,silicon nitride and silicon oxynitride powders

Summary Ultrafine Si, Si₃N₄, SiC and silicon oxynitride powders have been produced by irradiating gas-phase reactants by means of a CO₂ laser. The mechanism of SiH₄ CO₂ laser-induced absorption and dissociation is discussed on the basis of the results of the spectral and time-resolved measurement of fragment chemiluminescence. The role played by the SiH₂ radical in the powder formation is investigated. The quality of Si, Si₃N₄, SiC and silicon oxynitride powders is checked by means of several off-line diagnostics (IR spectroscopy, X-ray diffraction at wide and small angle, BET analysis). The possibility of controlling powder stoichiometry and doping from the gas-phase reactant concentration is discussed.     

The impact of ultra thin silicon nitride buffer layer on GaN growth on Si (1 1 1) by RF-MBE

Ultra thin films of pure silicon nitride were grown on a Si (1 1 1) surface by exposing the surface to radio-frequency (RF) nitrogen plasma with a high content of nitrogen atoms. The effect of annealing of silicon nitride surface was investigated with core-level photoelectron spectroscopy. The Si 2p photoelectron spectra reveals a characteristic series of components for the Si species, not only in stoichiometric Si₃N₄ (Si⁴⁺) but also in the intermediate nitridation states with one (Si¹⁺) or three (Si³⁺) nitrogen nearest neighbors. The Si 2p core-level shifts for the Si¹⁺, Si³⁺, and Si⁴⁺ components are determined to be 0.64, 2.20, and 3.05 eV, respectively. In annealed sample it has been observed that the Si⁴⁺ component in the Si 2p spectra is significantly improved, which clearly indicates the crystalline nature of silicon nitride. The high resolution X-ray diffraction (HRXRD), scanning electron microscopy (SEM) and photoluminescence (PL) studies showed a significant improvement of the crystalline qualities and enhancement of the optical properties of GaN grown on the stoichiometric Si₃N₄ by molecular beam epitaxy (MBE).     

Ion tracks in amorphous silicon nitride

The morphology of the tracks of swift ions revealed in amorphous silicon nitride after treatment in an HF solution is studied. The Si₃N₄/Si structures were irradiated with Fe, Kr, and W ions in the electron energy loss regime. Discontinuous tracks were recorded upon exposure to W only, with an electron energy loss of 20.4 keV nm⁻¹ being maximal for the conditions of our experiment. The results from calculations of the track formation in Si₃N₄ based on the thermal spike model are presented.     

Photoluminescence characterization of air exposed AlGaAs surface and passivated ex situ by ultrathin silicon interface control layer

Using the photoluminescence surface state spectroscopy (PLS³) technique, attempts were made to determine the surface state density (N_ss) distribution on Al_xGa_1−xAs (x≈0.3) surfaces passivated by the Si interface control layer (ICL) technique. Air-exposed AlGaAs epitaxial wafers which are technologically important for fabrication of various devices were passivated ex situ by forming a SiO₂/Si₃N₄/Si ICL/AlGaAs structure after the HCl treatment and their photoluminescence behavior was investigated in detail. The result of the PLS³ analysis indicated that Si ICL-based passivation reduces the minimum interface state density value down to 10¹⁰ cm⁻² eV⁻¹ range. Some indication was also obtained that further improvements are possible by using electron cyclotron resonance (ECR)-enhanced N₂ plasma for Si₃N₄/Si ICL interface formation.     

Solid-state NMR investigations of Si-29 and N-15 enriched silicon nitride

We compare ²⁹Si magic-angle spinning (MAS) nuclear magnetic resonance (NMR) spectra from the two modifications of silicon nitride, α-Si₃N₄ and β-Si₃N₄, with that of a fully (²⁹Si, ¹⁵N)-enriched sample ²⁹Si₃¹⁵N₄, as well as ¹⁵N NMR spectra of Si₃¹⁵N₄ (having ²⁹Si at natural abundance) and ²⁹Si₃¹⁵N₄. We show that the ¹⁵N NMR peak-widths from the latter are dominated by J(²⁹Si–¹⁵N) through-bond interactions, leading to significantly broader NMR signals compared to those of Si₃¹⁵N₄. By fitting calculated ²⁹Si NMR spectra to experimental ones, we obtained an estimated coupling constant J(²⁹Si–¹⁵N) of 20 Hz. We provide ²⁹Si spin-lattice (T₁) relaxation data for the ²⁹Si₃¹⁵N₄ sample and chemical shift anisotropy results for the ²⁹Si site of β-Si₃N₄. Various factors potentially contributing to the ²⁹Si and ¹⁵N NMR peak-widths of the various silicon nitride specimens are discussed. We also provide powder X-ray diffraction (XRD) and mass spectrometry data of the samples.     

Thermal conductivity and heat capacity of Si3N4/BN fiber monoliths

This paper reports on measurements within the 5–300-K temperature interval of the thermal conductivity of Si₃N₄ and BN polycrystalline ceramic samples and Si₃N₄/BN fiber monoliths (FM) with different fiber arrangement architecture, [0], [90], and [0/90], with fibers arranged, accordingly, along and across the sample axis and the [0] and [90] layers stacked alternately. In the 3.5–300-K interval, the heat capacity at constant pressure, and at 77 K, the sound velocity have been measured in polycrystalline Si₃N₄ and BN samples and in Si₃N₄/BN [0] fiber monoliths. Our studies suggest that, with a high enough degree of confidence, but for some compositions—with minor assumptions, it can be maintained that, in the case of the Si₃N₄/BN fiber monoliths, one can use for calculation of their thermal conductivities and heat capacities within certain temperature intervals simple models considering mixtures of the Si₃N₄ and BN components with due account of their contributions to formation of the Si₃N₄/BN FM. It has been established that in the low-temperature domain (5–25 K), phonons in Si₃N₄/BN [0], [90], and [0/90] fiber monoliths scatter primarily from dislocations. This effect is not observed in ceramic Si₃N₄ and BN samples. The experimental data obtained on the thermal conductivity, heat capacity, and sound velocity have been used to calculate phonon mean free path lengths in polycrystalline Si₃N₄ and BN samples and the effective mean free path length in the Si₃N₄/BN [0] FM.     

Atomic-scale studies of native point defect and nonstoichiometry in silicon oxynitride

The native point defects and mechanism of accommodating deviations from stoichiometry of Si₂N₂O crystal have been investigated using atomistic simulation techniques. This work firstly provides a reliable classical interatomic potential model derived from density functional theory calculations. The force-field parameters well reproduce the crystal structure, elastic stiffness, and dielectric constants of Si₂N₂O. It is expected that the force-field parameters are useful in future investigations on Si₂N₂O by molecular dynamic simulation. The calculated formation energies for native defects suggest that intrinsic disorder in stoichiometric Si₂N₂O is dominated by antisites and a degree of oxygen Frenkel defect may also exist in this system. In nonstoichiometric Si₂N₂O, the calculated reaction energies indicate that excess SiO₂ or Si₃N₄ is most likely accommodated by the formation of antisite in the lattice. And we also find that SiO₂ excess is energetically more favorable than Si₃N₄ surplus in Si₂N₂O.     

Scanning probe oxidation of Si3N4 masks for nanoscale lithography,micromachining, and selective epitaxial growth on silicon

For studying the physical, chemical, and electronic properties of ultrasmall man-made structures, the major challenge is to fabricate highly uniform structures and control their positions on the nanometer length scale. Local oxidation of metals and semiconductors using a conductive-probe atomic force microscope (AFM) or other scanning probe microscopes in air at room temperature has emerged as a simple and universal method for this purpose. Here the uses of scanning probe oxidation of Si₃N₄ masks for performing nanolithography, nanomachining, and nanoscale epitaxial growth on silicon are reviewed. The three most unique features of this approach are presented: (1) exceptionally fast oxidation kinetics using silicon nitride masks (∼30 μm/s at 10 V for a ∼5-nm-thick film); (2) selective-area anisotropic etching of Si using a Si₃N₄ etch mask; and (3) selective-area chemical vapor deposition of Si using a SiO₂/Si₃N₄ bilayer growth mask.     

n-type conductivity in Si-doped amorphous AlN: an ab initio investigation

We report the electronic structure and topology of a heavily Si-doped amorphous aluminium nitride (Al_37.5Si_12.5N₅₀) using ab initio simulations. The amorphous Al_37.5Si_12.5N₅₀ system is found to be structurally similar to pure amorphous aluminium nitride. It has an average coordination number of about 3.9 and exhibits a small amount of Si–Si homopolar bonds. The formation of Si–Al bonds is not very favourable. Electronic structure calculations reveal that the Si doping has a negligible effect on the band gap width but causes delocalization of the valence band tail states and a shift of the Fermi level towards the conduction band. Thus, amorphous Al_37.5Si_12.5N₅₀ alloys show n-type conductivity.     

Evaluation of Si3N4/Si interface by UV Raman spectroscopy

The stresses at Si₃N₄/Si (1 0 0), (1 1 1) and (1 1 0) interfaces were measured by UV Raman spectroscopy with a 364 nm excitation laser whose penetration depth into the Si substrate was estimated to be 5 nm. The Si₃N₄ films were formed on Si (1 0 0), (1 1 1) and (1 1 0) using nitrogen-hydrogen (NH) radicals produced in microwave-excited high-density Xe/NH₃ mixture plasma. The localized stress detected from Raman peak shift was compressive at the (1 0 0) interface, and tensile at the (1 1 1) and (1 1 0) interfaces. The results showed that stress had strong correlation with the total density of subnitrides at the Si₃N₄/Si interface, and also with the full-width at half-maximum (FWHM) of Si the 2p_3/2 photoemission spectrum arising from the substrate. We believe that the localized stress affected subnitride formation because the amount of subnitride and the FWHM of Si 2p_3/2 decreased while the interface stress shifted in the tensile direction.     

Crystallization of amorphous Si3N4 and superhardness effect in HfC/Si3N4 nanomultilayers

HfC/Si₃N₄ nanomultilayers with various thicknesses of Si₃N₄ layer have been prepared by reactive magnetron sputtering. Microstructure and mechanical properties of the multilayers have been investigated. The results show that amorphous Si₃N₄ is forced to crystallize and grow coherently with HfC when the Si₃N₄ layer thickness is less than 0.95 nm, correspondingly the multilayers exhibit strong columnar structure and achieve a significantly enhanced hardness with the maximum of 38.2 GPa. Further increasing Si₃N₄ layer thickness leads to the formation of amorphous Si₃N₄, which blocks the coherent growth of multilayer, and thus the hardness of multilayer decreases quickly.     

Si nanocrystals in silicon nitride: An ellipsometric study using parametric semiconductor models

Low-pressure chemical vapour deposited Si₃N₄/nc-Si/Si₃N₄ layers prepared on Si substrates were characterized by spectroscopic ellipsometry. Model Dielectric Function (MDF) was applied to obtain the thickness and the dielectric spectra of the middle nc-Si layer. Sensitive effect of the deposition time was obtained on the MDF parameters. A comparison is presented between the studied samples and reference materials.     

Electrical characteristics of metal-dielectric-semiconductor structures with silicon nitride prepared by reactive cathode atomization

The effect of the technology of preparation of silicon nitride in a low temperature gas discharge plasma upon the volt-ampere and volt-farad characteristics of metal-dielectricsemiconductor (MDS) structures (Al-Si₃N₄-Si-Al) is studied. It is shown that by using a heterogeneous Si₃N₄ formation reaction with ionic purification of the silicon surface, it is possible to obtain MDS structures with lower and more stable surface charge in comparison to similar structures in which the Si₃N₄ is grown by other methods (for example, gas transport reaction methods). The conductivity of the Si₃N₄ film is described approximately by the well known Frankel model, and its value is close to that of Si₃N₄ films prepared by other methods.     

Oxidation inhibiting properties of Si3N4-layers produced by ion implantation

The implantation of nitrogen into silicon to produce Si₃N₄ layers was investigated to find an alternative to CVD-Si₃N₄ layers used in ISOPLANAR-and LOCOS-technology. The technological properties of the implanted Si₃N₄ layers in respect to oxidation inhibition and etching are comparable or superior to CVD-Si₃N₄ layers. The implanted layers are more resistent against oxidation for nitrogen doses of 2.4×10¹⁷ cm⁻² at 30keV. The etching behavior is comparable for both types of Si₃N₄-layers. In the implanted layers no pinholes are found and threre is no formation of a bird's beak, as is well known in the case of CVD-nitride.     

Si3N4Si量子点电子结构的理论研究

采用经表面优化的对称球形团簇作Ｓｉ₃Ｎ₄，Ｓｉ晶态量子点的模型，利用紧束缚近似和ｒｅｃｕｒｓｉｏｎ方法研究了它们的电子结构，给出了导带底和价带顶位置随量子点尺寸的变化。得到了３２８原子Ｓｉ₃Ｎ₄量子点、３２３原子Ｓｉ量子点的中心原子局域态密度及平均态密度，并讨论了态密度和光谱结构的关系，中心原子局域态密度能较好地描述量子点的光谱，这一点得到了实验结果的证实。 关键词：     

AlN/Si3N4纳米多层膜的外延生长与力学性能

采用射频磁控溅射方法制备单层AlN, Si₃N₄薄膜和不同调制周期的AlN/Si₃N₄纳米多层膜.采用X射线衍射仪、高分辨透射电子显微镜和纳米压痕仪对薄膜进行表征.结果发现,多层膜中Si₃N₄层的晶体结构和多层膜的硬度依赖于Si₃N₄层的厚度.当AlN层厚度为4.0nm、 Si₃N₄层厚度 关键词： 3N₄纳米多层膜')" href="#">AlN/Si₃N₄纳米多层膜 外延生长 应力场 超硬效应     

Characterization and properties Ti-Al-Si-N nanocomposite coatings prepared by middle frequency magnetron sputtering

TiN-containing amorphous Ti-Al-Si-N (nc-TiN/a-Si₃N₄ or a-AlN) nanocomposite coatings were deposited by using a modified closed field twin unbalanced magnetron sputtering system which is arc assisted and consists of two circles of targets, at a substrate temperature of 300 °C. XRD, XPS and High-resolution TEM experiments showed that the coatings contain TiN nanocrystals embedded in the amorphous Si₃N₄ or AlN matrix. The coatings exhibit good mechanical properties that are greatly influenced by the Si contents. The hardness of the Ti-Al-Si-N coatings deposited at Si targets currents of 5, 8, 10, and 12 A were 45, 47, 54 and 46 GPa, respectively. The high hardness of the deposited Ti-Al-Si-N coatings may be own to the plastic distortion and dislocation blocking by the nanocrystalline structure. On the other hand, the friction coefficient decreases monotonously with increasing Si contents. This result would be caused by tribo-chemical reactions, which often take place in many ceramics, e.g. Si₃N₄ reacts with H₂O to produce SiO₂ or Si(OH)₂ tribolay-layer.     

Si3N4/Si表面Si生长过程的扫描隧道显微镜研究

利用原位扫描隧道显微镜和低能电子衍射分析了Si的纳米颗粒在Si₃N₄/Si(111)和Si₃N₄/Si(100)表面生长过程的结构演变.在生长早期T为350—1075K范围内,Si在两种衬底表面上都形成高密度的三维纳米团簇,这些团簇的大小均在几个纳米范围内,并且在高温退火时保持相当稳定的形状而不相互融合.当生长继续时,Si的晶体小面开始显现.在晶态的Si₃N₄(0001)/S 关键词： 氮化硅 扫描隧道显微镜 纳米颗粒