Raman spectroscopic study of femtosecond laser-induced phase transformation associated with ripple formation on single-crystal SiC

Raman spectroscopy was performed to investigate microscopic structural changes associated with a ripple structure formation initiated by femtosecond laser irradiation on the surface of single-crystal silicon carbide. The amorphous phases of silicon carbide, silicon, and carbon were observed. The intensity ratio between amorphous silicon carbide and silicon changed discretely at the boundary between fine and coarse ripples. The physical processes responsible for the formation of the ripple structure are discussed.     

Evolution of the symmetry of intermediate phases and their phonon spectra during the topochemical conversion of silicon into silicon carbide

A symmetry analysis of the crystal structure and the phonon spectrum during continuous topochemical conversion of silicon into silicon carbide has been carried out. The transformation of the symmetry of phonons at high-symmetry points of the Brillouin zone upon the transition from the initial cubic structure of silicon (diamond) through an intermediate cubic structure of silicon carbide to the trigonal structure of SiC has been determined. The selection rules for the infrared and Raman spectra of all the three phases under investigation have been established.     

Theory of hydrogen-related metastability in disordered silicon

Density functional electronic structure calculations are employed to examine hydrogen for a variety of configurations in silicon. A novel complex is found for hydrogen in amorphous silicon. The complex involves the breaking of a weak silicon bond to form two Si-H bonds with both hydrogens in between the original silicon atoms. This complex provides a microscopic model for new metastable complexes observed in amorphous silicon. Mechanisms for hydrogen-related metastability are discussed for amorphous and polycrystalline silicon.     

Design and optimization of 2D photonic crystal waveguides based on silicon

The existence and properties of photonic band gaps was investigated for a square lattice of dielectric cylinders in air. Band structure calculations were performed using the transfer matrix method as function of the dielectric constant of the cylinders and the cylinder radius-to-pitch ratio r/a. It was found that band gaps exist only for transverse magnetic polarization for a dielectric contrast larger then 3.8 (index contrast >1.95). The optimum r/a ratio is 0.25 for the smallest index contrast. For silicon cylinders (n = 3.45) the widest gap is observed for r/a = 0.18. Band structure calculations as function of r/a show that up to four gaps open for the silicon structure. The effective index was obtained from the band structure calculations and compared with Maxwell–Garnett effective medium theory. Using the band structure calculations we obtained design parameters for silicon based photonic crystal waveguides. The possibility and limitations of amorphous silicon, silicon germanium and silicon-on-insulator structures to achieve index guiding in the third dimension is discussed.     

Silicon diffusion in molybdenum disilicide: correlation effects

Correlation factors for silicon diffusion by a vacancy mechanism in the silicon sublattice of the tetragonal MoSi₂ structure have been calculated by combining an analytical and a Monte Carlo approach. The ratio of the silicon diffusivity perpendicular to the tetragonal axis to that parallel to the tetragonal axis is also deduced. An effect of forward correlation of tracer atom jumps in the silicon sublattice with the corresponding partial correlation factor of 1.5 appears at small frequencies of silicon atom jumps along the tetragonal axis with respect to the jump frequencies in the silicon layer perpendicular to the tetragonal axis of the MoSi₂ structure. The anisotropy of silicon diffusion in MoSi₂ measured by Salamon et al. is explained in terms of correlation effects of silicon diffusion on its own sublattice.     

Fabrication of silicon pyramid/nanowire binary structure with superhydrophobicity

A pyramid/nanowire binary structure is fabricated on the silicon surface via a NaOH anisotropic etching technique followed by a silver-catalyzed chemical etching process. The silicon surface shows a stable superhydrophobicity with high contact angle of 162° and small sliding angle less than 2° after being modified with octadecyltrichlorosilane (ODTS). The binary roughness of pyramid/nanowire structure presents a stable composite interface of silicon-air-water and responsible for the superhydrophobicity of silicon surface.     

Effect of driving frequency on the structure of silicon grown on Ag(111) films by very-high-frequency magnetron sputtering

The effect of driving frequency on the structure of silicon grown on Ag(111) film is investigated, which was prepared by using the very-high-frequency(VHF)(40.68 MHz and 60 MHz) magnetron sputtering. The energy and flux density of the ions impinging on the substrate are also analyzed. It is found that for the 60-MHz VHF magnetron sputtering, the surface of silicon on Ag(111) film exhibits a small cone structure, similar to that of Ag(111) film substrate, indicating a better microstructure continuity. However, for the 40.68-MHz VHF magnetron sputtering, the surface of silicon on Ag(111) film shows a hybrid structure of hollowed-cones and hollowed-particles, which is completely different from that of Ag(111)film. The change of silicon structure is closely related to the differences in the ion energy and flux density controlled by the driving frequency of sputtering.     

Self-assembled silicon nanotubes under supercritically hydrothermal conditions

Self-assembled silicon nanotubes with one-dimensional structure have been synthesized from silicon monoxide powder under supercritically hydrothermal conditions with a temperature of 470 degrees C and a pressure of 6.8 MPa. The silicon nanotubes were identified by transmission electron microscopy and high-resolution transmission electron microscopy. The results show that the silicon nanotubes (SiNT) have closed caps. The structures of the silicon nanotubes are hollow inner pore, crystalline silicon wall layers with a 0.31 nm interplanar spacing and 2-3 nm amorphous silica outer layers. Pure crystalline silicon nanotubes survive after etching the silicon nanotubes with 5% HF acid for enough time to imply that the self-assembled silicon nanotubes are stable. A possible theoretical reason for the growth of SiNTs from SiO under supercritically hydrothermal conditions was also proposed.     

微纳混合结构黑硅的制备及其关键工艺技术讨论

黑硅是一种能大幅提高器件光电转换效率的新型电子材料,微纳混合结构黑硅是一种比普通黑硅材料更高效的新型黑硅材料,如何制备出大面积、形貌特征好、表面洁净度高的黑硅材料是制备高效的黑硅太阳能电池的前提。首先,利用湿法腐蚀方法,通过设计合适的反应固体装置和良好的工艺控制手段,在金字塔硅表面制备了大面积的微纳混合结构黑硅;然后,对其制备的关键工艺技术进行了研究讨论。实验结果表明,该方法制备的微纳混合结构黑硅具有形貌特征好、表面洁净度高和低表面反射率等特征。有效去除表面银沉积物后,该黑硅在300~1 100 nm范围内的加权平均反射率低至4.06%。该制备工艺方法适用于大面积高效微纳混合结构黑硅的规模制备,在高效黑硅太阳能电池领域具有重要的应用价值。     

氢气稀释比例对多晶硅薄膜微观结构和沉积特性的影响

利用电感耦合等离子体增强化学气相沉积法(ICP-PECVD)直接在普通玻璃衬底上低温沉积多晶硅薄 膜,主要研究了不同氢气稀释比例对薄膜沉积特性和微观结构的影响。采用 X 射线衍射仪(XRD)、拉曼光谱仪和 扫描电子显微镜(SEM)表征了在不同氢气比例条件下所制备多晶硅薄膜的微结构、形貌,并对不同条件下样品的 沉积速率进行了分析。实验结果表明：随着混合气体中硅烷比例的增加,薄膜的沉积速率不断增加;晶化率先增 加,后减小;当硅烷含量为4.8%时,晶化率达到最大值67.3%。XRD 和 SEM 结果显示多晶硅薄膜在普通玻璃衬 底上呈柱状生长,且晶粒排列整齐、致密,这种结构可提高载流子的纵向迁移率,有利于制备高效多晶硅薄膜太阳能电池。     

光栅光阀器件的结构改进与制作工艺研究

根据光栅光阀的工作原理,在结构上对传统的光栅光阀器件进行了改进,分析了改进后光栅光阀器件的光学特性、结构特性,以及制作工艺流程.改进后的光栅光阀结构中硅基底上设有二氧化硅隔离层,隔离层上沉积无定形硅作为牺牲层,可动梁的材料是氮化硅,固定梁为蒸镀的金属铝层.通过离子刻蚀的方法刻蚀图形,用化学腐蚀方法掏空牺牲层得到所需桥梁状结构.研究表明改进后的器件黑区范围小,驱动电压较低,光学效率较高,具有潜在的应用前景.     

Modification of silicon waveguide structures using ion implantation induced defects

The structure of re-crystallized silicon films is investigated using transmission electron microscopy, spectroscopic ellipsometry and positron annihilation spectroscopy. Samples were prepared via amorphization of the silicon overlayer of silicon-on-insulator substrates, and subsequent thermal annealing. For an annealing temperature of 650 °C we show that the silicon film has a poly-crystalline structure. Its refractive index measured at 1550 nm is comparable to that of crystalline silicon following re-crystallization at 750 °C. Positron measurements indicate a high concentration of open-volume point defects in the re-crystallized films. We discuss the potential importance of these structures with regard to defect engineering for silicon photonic devices.     

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Polycrystalline silicon thin film formation from inductively coupled plasma enhanced chemical vapor deposition system was studied. The dilution effect of H₂ on film deposition was discussed. The X-ray diffractometry, Raman spectra and scanning electron microscope measurement were carried out to analyze the influence of H₂ on the microstructures and the topography of polycrystalline silicon thin films. The optimum conditions for polycrystalline silicon thin films deposition were also discussed. The results indicated that polycrystalline silicon thin films with columnar structure crystals were fabricated on glass substrate. The deposition rate exhibited monotonic increase with Silane ratio R, a maximum deposition rate of 0.65nm⋅s^-1 was obtained. However, the crystal volume fraction of polycrystalline silicon thin films initially increased from 60.5% to 67.3%, and then slightly decreased with the increase of R. Therefore, the crystal has a maximum value of 67.3% at R=4.8%. The polycrystalline silicon thin films had a compact and well-arranged structure at this ratio. This structure can also increase carrier mobility and improve the efficiency of solar cells.     

硅纳米团簇与石墨烯复合结构储锂性能的第一性原理研究

本文采用第一性原理计算方法, 研究了不同晶向硅纳米团簇与石墨烯复合结构稳定性及其储锂性能. 计算了不同高度、大小硅团簇与石墨烯复合结构的结合能, 复合结构中嵌锂吸附能和PDOS. 分析表明, 硅团簇和石墨烯之间形成较强的Si—C键, 其中[111]晶向硅团簇与石墨烯作用的形成能最高, 结构最为稳定. 进一步计算其嵌锂吸附能, 发现硅团簇中靠近石墨烯界面处的储锂位置更加有利于锂的吸附, 由于锂和碳、硅之间有较强电荷转移, 其吸附能明显大于其他储锂位置. 同时在锂嵌入过程中, 由于石墨烯的引入, 明显减小了界面处硅的形变, 有望提高其作为锂电池负极材料的可逆容量.     

Breakdown voltage analysis of Al0.25Ga0.75N/GaN high electron mobility transistors with partial silicon doping in the AlGaN layer

In this paper,two-dimensional electron gas（2DEG） regions in AlGaN/GaN high electron mobility transistors（HEMTs） are realized by doping partial silicon into the AlGaN layer for the first time.A new electric field peak is introduced along the interface between the AlGaN and GaN buffer by the electric field modulation effect due to partial silicon positive charge.The high electric field near the gate for the complete silicon doping structure is effectively decreased,which makes the surface electric field uniform.The high electric field peak near the drain results from the potential difference between the surface and the depletion regions.Simulated breakdown curves that are the same as the test results are obtained for the first time by introducing an acceptor-like trap into the N-type GaN buffer.The proposed structure with partial silicon doping is better than the structure with complete silicon doping and conventional structures with the electric field plate near the drain.The breakdown voltage is improved from 296 V for the conventional structure to 400 V for the proposed one resulting from the uniform surface electric field.     

Breakdown voltage analysis of Al_0.25Ga_0.75N/GaN high electron mobility transistors with partial silicon doping in the AlGaN layer

In this paper,two-dimensional electron gas(2DEG) regions in AlGaN/GaN high electron mobility transistors(HEMTs) are realized by doping partial silicon into the AlGaN layer for the first time.A new electric field peak is introduced along the interface between the AlGaN and GaN buffer by the electric field modulation effect due to partial silicon positive charge.The high electric field near the gate for the complete silicon doping structure is effectively decreased,which makes the surface electric field uniform.The high electric field peak near the drain results from the potential difference between the surface and the depletion regions.Simulated breakdown curves that are the same as the test results are obtained for the first time by introducing an acceptor-like trap into the N-type GaN buffer.The proposed structure with partial silicon doping is better than the structure with complete silicon doping and conventional structures with the electric field plate near the drain.The breakdown voltage is improved from 296 V for the conventional structure to 400 V for the proposed one resulting from the uniform surface electric field.     

Synchrotron investigations of the electron structure of silicon nanocrystals in a SiO2 matrix

Silicon ions are implanted into silicon oxide thin films obtained by the thermal oxidation of silicon wafers in wet oxygen. The implantation dose is accumulated either once or cyclically, and the samples are annealed in dry nitrogen every time after implantation. The second series of samples is prepared in a similar way, but the technology for obtaining the oxide films includes additional annealing at 1100°C in air for three hours. X-ray absorption near-edge structure (XANES) spectra are obtained using synchrotron radiation. In all the Si L _2,3 spectra, two absorption edges are observed, the first corresponding to elemental silicon, and the second corresponding to the SiO₂ matrix. The fine structure of the first edge indicates that nanocrystalline silicon (nc-Si) can form in the SiO₂ matrix, whose atomic and electronic structure depends on the technology of its formation. In both series, the cyclic accumulation of the total dose (Φ = 10¹⁷ cm^?2) and the annealing time (2 h) gives rise to the most pronounced fine structure in the region of the absorption edge of elemental silicon. The probability of forming silicon nanocrystals decreases for the denser silicon oxide in the second series of samples.     

Comparison study of the charge density distribution induced by heavy ions and pulsed lasers in silicon

Heavy ions and pulsed lasers are important means to simulate the ionization damage effects on semiconductor materials. The analytic solution of high-energy heavy ion energy loss in silicon has been obtained using the Bethe-Bloch formula and the Kobetich-Katz theory, and some ionization damage parameters of Fe ions in silicon, such as the track structure and ionized charge density distribution, have been calculated and analyzed according to the theoretical calculation results. Using the Gaussian function and Beer's law, the parameters of the track structure and charge density distribution induced by a pulsed laser in silicon have also been calculated and compared with those of Fe ions in silicon, which provides a theoretical basis for ionization damage effect modeling.     

Morphology of heteroepitaxial β-SiC films grown on Si(111) through high-vacuum chemical vapor deposition from hexane vapors

The characteristics of cubic silicon carbide films grown on silicon through high-vacuum chemical vapor deposition (HVCVD) from hexane vapors are investigated using scanning probe microscopy and x-ray diffraction. The surface morphology and structure of the films are analyzed as a function of the thickness of the deposited films and the nature of the substrate (silicon, sapphire). The role of different diffusion fluxes arising in the structure and the related possible mechanisms of growth of β-SiC layers on silicon substrates are discussed.