四方晶系应变Si空穴散射机制

基于Fermi黄金法则及Boltzmann方程碰撞项近似理论, 推导建立了(001)弛豫Si_1-xGe_x衬底外延四方晶系应变Si空穴散射几率与应力及能量的理论关系模型, 包括离化杂质、声学声子、非极性光学声子及总散射概率(能量40 meV时)模型. 结果表明: 当Ge组分(x)低于0.2时, 应变Si/(001)Si_1-xGe_x材料空穴总散射概率随应力显著减小. 之后, 其随应力的变化趋于平缓. 与立方晶系未应变Si材料相比, 四方晶系应变Si材料空穴总散射概率最多可减小66%. 应变Si材料空穴迁移率增强与其散射概率的减小密切相关, 本文所得量化模型可为应变Si空穴迁移率及PMOS器件的研究与设计提供理论参考.     

应变Si/(001)Si1-xGex电子迁移率

依据离化杂质散射、声学声子散射和谷间散射的散射模型,在考虑电子谷间占有率的基础上,通过求解玻尔兹曼方程计算了不同锗组分下,不同杂质浓度时应变Si/(001)Si_1-xGe_x的电子迁移率.结果表明:当锗组分达到0.2时,电子几乎全部占据Δ₂能谷;低掺杂时,锗组分为0.4的应变Si电子迁移率与体硅相比增加约64%;对于张应变Si NMOS器件,从电子迁移率角度来考虑不适合做垂直沟道.选择相应的参数,该方 关键词： 电子谷间占有率 散射模型 锗组分 电子迁移率     

Structural investigations of synthetic ferrihydrite nanoparticles doped with Si

X-ray diffraction (XRD), transmission electron microscopy (TEM), and photoacoustic/Fourier transform infrared spectroscopy (PA/FTIR) are employed to monitor the changes in the structural aspects of two-line ferrihydrite (FHYD) nanoparticles doped with silica viz. Si_xFe_1−xOOH·nH₂O for x=0, 0.02, 0.05, 0.10, 0.15, 0.20, 0.26, 0.40 and 0.50. In XRD, crystallinity decreases and d-spacings increase with increase in x. TEM studies show that the particle size increases systematically with increase in x, from 3.7 nm for x=0 to 5.7 nm for x=0.50. In PA/FTIR, two new bands appear, band F near 3700 cm⁻¹ identified with the surface Si-O-H group and band A near 900 cm⁻¹ identified with Si-O-Fe group, which shifts to higher wavenumbers with increase in x. These results are used to propose a model in which doped Si⁴⁺ ions do not displace Fe³⁺ ions but are chemisorbed on the FHYD surface making a shell of silica for higher doping. This model is consistent with the reported changes in the magnetic properties of FHYD with Si doping.     

Simulations of structures of amorphous SixC1−x films

Amorphous Si_xC_1−x films possess the potential to improve wear performance in humid atmospheres and at higher temperatures. But some experimental work on the films showed that silicon contents greatly influenced their microstructures and mechanical properties. Therefore, simulations of molecular dynamics were carried out to predict structures of the Si_xC_1−x films at different silicon contents. The results show that the sp³/sp² ratio of all the films increases, but the stiffness of the films is decreasing with an increase in silicon contents. Moreover, silicon atoms are almost surrounded by carbon atoms, which is in agreement with the experiments.     

Growth dynamics of C-induced Ge dots on Si1−xGex strained layers

We address the growth mechanism of Ge quantum dots (QDs) on C-alloyed strained Si_1−xGe_x layers by in situ reflection high-energy electron-diffraction (RHEED). We show that C-induced growth on a Si-rich surface leads to a high density (about 10¹¹ cm⁻²) of small dome-shaped islands. On surfaces up to ≈65% richer in Ge we observe a decrease of the dot density by two orders of magnitude, which is associated to the increase of the adatom diffusion. Based on quantitative RHEED analysis, the islands are believed to grow in a Volmer-Weber mode even though their spotty electron transmission pattern is not detectable in the initial stages of growth due to the reduced size of the three-dimensional nucleation islands.     

Photoluminescence properties of Sr1-xSi2O2N2: Eux as green to yellow-emitting phosphor for blue pumped white LEDs

This study evaluated potential applications of green to yellow-emitting phosphors (Sr_1−xSi₂O₂N₂: Eu²⁺_x) in blue pumped white light emitting diodes. Sr_1-xSi₂O₂N₂: Eu²⁺_x was synthesized at different Eu²⁺ doping concentrations at 1450 °C for 5 h under a reducing nitrogen atmosphere containing 5% H₂ using a conventional solid reaction method. The X-ray diffraction patterns of the prepared phosphor (Sr_1-xSi₂O₂N₂: Eu²⁺_x) were indexed to the SrSi₂O₂N₂ phase and an unknown intermediate phase. The photoluminescence properties of these phosphors (Sr_1−xSi₂O₂N₂: Eu²⁺_x) showed that the samples were excited from the UV to visible region due to the strong crystal field splitting of the Eu²⁺ ion. The emission spectra under excitation of 450 nm showed a bright color at 545-561 nm. The emission intensity increased gradually with increasing Eu²⁺ doping concentration ratio from 0.05 to 0.15. However, the emission intensity decreased suddenly when the Eu²⁺ concentration ratio was >0.2. As the doping concentration of Eu²⁺ was increased, there was a red shift in the continuous emission peak. These results suggest that Sr_1-xSi₂O₂N₂: Eu₂⁺_x phosphor can be used in blue-pumped white light emitting diodes.     

An analytical threshold voltage model for dual-strained channel PMOSFET

Based on the analysis of vertical electric potential distribution across the dual-channel strained p-type Si/strained Si 1-x Ge x /relaxd Si 1-y Ge y (s-Si/s-SiGe/Si 1-y Ge y) metal-oxide-semiconductor field-effect transistor (PMOSFET),an-alytical expressions of the threshold voltages for buried channel and surface channel are presented.And the maximum allowed thickness of s-Si is given,which can ensure that the strong inversion appears earlier in the buried channel (compressive strained SiGe) than in the surface channel (tensile strained Si),because the hole mobility in the buried channel is higher than that in the surface channel.Thus they offer a good accuracy as compared with the results of device simulator ISE.With this model,the variations of threshold voltage and maximum allowed thickness of s-Si with design parameters can be predicted,such as Ge fraction,layer thickness,and doping concentration.This model can serve as a useful tool for p-channel s-Si/s-SiGe/Si 1-y Ge y metal-oxide-semiconductor field-effect transistor (MOSFET) designs.     

Raman spectroscopic study of carbon substitution in MgB2

We study the effect of carbon doping on the Raman spectrum of the MgB₂ superconductor. Out data show that significant changes in the Raman spectra of the MgB_2−xC_x compounds occur for carbon concentrations x>0.04. The E_2g mode at ∼580 cm⁻¹ hardens only moderately upon increased doping despite direct carbon substitution in the boron layers, while the dependence of its full width at half maximum (FWHM) on x reveals the competing effects of reduced electron-phonon coupling and increased disorder. The results are discussed in the framework of anisotropic lattice contraction and the position of the σ sub-bands with respect to the Fermi energy level. The relative intensity of the phonon peak at ∼770 cm⁻¹, associated with a peak in the phonon density of states, increases considerably and dominates for x=0.08. Additionally, it hardens and broadens with increasing x in the range 0.04-0.08. These changes can be associated with carbon substitution-induced disorder in the investigated samples.     

Preparation of five-layered Si/SixGe1−x nano-films by RF helicon magnetron sputtering

Five-layered Si/Si_xGe_1−x films on Si(1 0 0) substrate with single-layer thickness of 30 nm, 10 nm and 5 nm, respectively were prepared by RF helicon magnetron sputtering with dual targets of Si and Ge to investigate the feasibility of an industrial fabrication method on multi-stacked superlattice structure for thin-film thermoelectric applications. The fine periodic structure is confirmed in the samples except for the case of 5 nm in single-layer thickness. Fine crystalline Si_xGe_1−x layer is obtained from 700 °C in substrate temperature, while higher than 700 °C is required for Si good layer. The composition ratio (x) in Si_xGe_1−x is varied depending on the applied power to Si and Ge targets. Typical power ratio to obtain x = 0.83 was 7:3, Hall coefficient, p-type carrier concentration, sheet carrier concentration and mobility measured for the sample composed of five layers of Si (10 nm)/Si_0.82Ge_0.18 (10 nm) are 2.55 × 10⁶ /°C, 2.56 × 10¹² cm⁻³, 1.28 × 10⁷ cm⁻², and 15.8 cm⁻²/(V s), respectively.     

Optical properties and deep levels in annealed Si1−xMnx bulk materials

The optical properties and the deep levels in bulk Si_1−xMn_x formed by using an implantation and annealing method were investigated. Transmission electron microscopy, X-ray diffraction, and Hall-effect measurements showed that the annealed bulk Si_1−xMn_x samples were p-type crystalline semiconductors. The photoluminescence spectra for the annealed bulk Si_1−xMn_x material showed luminescence peaks corresponding to excitons bound to neutral acceptors and related to dislocations due to the existence of Mn impurities. Deep-level transient spectroscopy results for the annealed bulk Si_1−xMn_x showed deep levels related to the interstitial and substitutial sites of the Mn⁺ ions. These results can help improve understanding of the optical properties and the deep levels in annealed bulk Si_1−xMn_x material.     

Leakage current study of Si1−xCx embedded source/drain junctions

This work investigates the impact of various processing parameters on the leakage current of in situ P-doped Si_1−xC_x embedded source/drain (S/D) junctions, i.e., the carbon content x (%) and the thermal budget used either before or after the selective epitaxial deposition. It is shown that while the area leakage current density, generated by defects in the depletion region is not affected by the epitaxial process or the strain in the substrate, the perimeter leakage current density (J_P) increases with x. From the stronger reverse bias dependence of J_P, it is derived that a higher electric field exists along the junction periphery. This is confirmed by capacitance-voltage (C-V) measurements, demonstrating a higher p-well B doping density for increasing x. It is believed that this originates from the strain dependence of the B diffusivity in the p-well region. No evidence of electrically active extended defect formation was found, so it is expected that the off-state current of embedded Si_1−xC_x S/D nMOSFETs will not be adversely affected by the selective epitaxial deposition.     

Growth features at competing nucleation of quantum dots and nanopits in Si-Ge-C ternary system

The continuum elasticity model is applied to quantitatively investigate the growth features and nucleation mechanism of quantum dots (QDs), nanopits, and joint QDs-nanopits structures in SiGeC ternary systems. We determined the critical concentrations of carbon, x = 0.08 for Si_1?x C _x and y = 0.0033 for Si_1?x?y Ge _x C _y at the concentration of germanium x = 0.467, when the growth mode changes from, respectively, nucleation of QDs to formation of nanopits. We have shown that the increase in the carbon concentration in a SiC binary system and of germanium concentration in a SiGeC ternary system leads to a decrease in the critical size of QD. The free energy of mixing for Si_1?x?y Ge _x C _y ternary system was calculated and studied and its 3D sketch plotted. It is demonstrated that incorporation of carbon into Si and Ge up to background impurity concentration is energetically preferable, which explains the experimentally detected ??contamination?? of silicon and germanium crystals by carbon during the growth in the graphite crucible.     

Transformation mechanism of n-butyl terminated Si nanoparticles embedded into Si1−xCx nanocomposites mixed with Si nanoparticles and C atoms

Bright-field transmission electron microscopy (TEM) images, high-resolution TEM (HRTEM) images, and fast-Fourier transformed electron-diffraction patterns showed that n-butyl terminated Si nanoparticles were aggregated. The formation of Si_1−xC_x nanocomposites was mixed with Si nanoparticles and C atoms embedded in a SiO₂ layer due to the diffusion of C atoms from n-butyl termination shells into aggregated Si nanoparticles. Atomic force microscopy (AFM) images showed that the Si_1−xC_x nanocomposites mixed with Si nanoparticles and C atoms existed in almost all regions of the SiO₂ layer. The formation mechanism of Si nanoparticles and the transformation mechanism of n-butyl terminated Si nanoparticles embedded into Si_1−xC_x nanocomposites mixed with Si nanoparticles and C atoms are described on the basis of the TEM, HRTEM, and AFM results. These results can help to improve the understanding of the formation mechanism of Si nanoparticles.     

The nano-structural properties of hydrogenated a-Si and Si-C thin films alloys by GISAXS and vibrational spectroscopy

Amorphous hydrogenated silicon (a-Si:H) with high hydrogen content (10-40 at.%), and non-stehiometric silicon-carbon (Si_1−xC_x) thin films with a variation of the carbon to silicon ratio up to 0.3, were deposited by using a magnetron sputtering source. The Si_1−xC_x thin films were partially crystallised after deposition by thermal annealing up to 1050 °C.The GISAXS (Grazing Incidence Small Angle X-ray Scattering) spectra of all of the prepared specimens indicate the presence of “particles” in the “bulk” of the films. For the a-Si:H samples, “particles” are most probably voids agglomerates with a variation in size between 3 and 6 nm. The mean value of the size distribution of the “particles” increases while its width slightly decreases with the hydrogen content in the film. This indicates a better structural ordering which is consistent with the results of Raman spectroscopy that show a decrease of the ratio between intensities of transversal acoustic (TA) and transversal optic (TO) phonon peaks, I_TA/I_TO, and a narrowing of the TO peak with increasing hydrogen content. These results are discussed as a consequence of the beneficial influence of hydrogen bombardment during the film growth.For Si_1−xC_x thin films, the “particles” are assumed to be SiC nano-crystals with a size between 2 and 14 nm and they are larger in films with a higher carbon concentration. Inside each of the films, the crystals are larger closer to surface and they grow faster in the direction parallel to the surface than in that which is perpendicular to it.     

Formation mechanism of ferromagnetism in Si1−xMnx diluted magnetic semiconductors

Si_1−xMn_x diluted magnetic semiconductor (DMS) bulks were formed by using an implantation and annealing method. Energy dispersive X-ray fluorescence, transmission electron microscopy (TEM), and double-crystal rocking X-ray diffraction (DCRXD) measurements showed that the grown materials were Si_1−xMn_x crystalline bulks. Hall effect measurements showed that annealed Si_1−xMn_x bulks were p-type semiconductors. The magnetization curve as a function of the magnetic field clearly showed that the ferromagnetism in the annealed Si_1−xMn_x bulks originated from the interaction between interstitial and substitutional Mn⁺ ions, which was confirmed by the DCRXD measurements. The magnetization curve as a function of the temperature showed that the ferromagnetic transition temperature was approximately 75 K. The present results can help to improve understanding of the formation mechanism of ferromagnetism in Si_1−xMn_x DMS bulks.     

Structure and magnetic properties of LaFe11.5−xCoxSi1.5C0.2 compounds for magnetic refrigeration near room temperature

The influence of cobalt on the microstructural, magnetic and magnetocaloric properties of LaFe_11.5−xCo_xSi_1.5C_0.2 (x=0.50–0.85) compounds was investigated. The ingots were prepared by using a vacuum induction melting furnace. Before annealing, a large amount of 1:13 phase was distinctly observed. Nearly single 1:13 phase was obtained after annealing at 1353 K for only 3 days. The easy formation of 1:13 phase in the annealing process could be attributed to carbon doping. The Curie temperature (T_C) increases linearly with increasing the cobalt content. Although the maximum magnetic entropy changes of the compounds decrease rapidly when T_C rises from 275 to 298 K, and it decreases mildly when T_C continues to rise. Two composite refrigerants based on the compounds are proposed. Their entropy changes remains approximately constant over the temperature range from 266 to 292 K and 289 to 309 K.     

The dependence of the structural and optical properties on the Te mole fraction in ZnS1−xTex/GaAs heterostructures

Lattice-mismatched ZnS_1−xTe_x epilayers with various Te mole fractions on GaAs (100) substrates were grown by double well temperature gradient vapor deposition. X-ray diffraction patterns showed that the grown ZnS_1−xTe_x layers were epitaxial films. The photoluminescence spectra showed that the peak position of the acceptor-bound exciton (A⁰, X) varied dramatically with changing the Te mole fraction and that the behavior of the (A⁰, X) peak position of the ZnS_1−xTe_x epilayers with a small amount of the Te mole fraction was attributed to a bowing effect. The reflectivity and ellipsometry spectra showed that the absorption energy peak was significantly affected due to the Stoke's effect. These results provide important information on the structural and optical properties of ZnS_1−xTe_x/GaAs heterostructures for improving optoelectronic device efficiencies operating in the spectral range between near ultraviolet and visible regions.     

应变Si电子电导有效质量模型

采用K·P微扰法建立了应变Si导带能谷由纵、横向有效质量表征的E-k关系,并在此基础上,研究分析了(001),(101),(111)晶面应变Si电子的电导有效质量与应力、能谷分裂能及晶向的关系.结果表明,弛豫Si_1-xGe_x材料(001)面生长的应变Si沿[100],[010]晶向的电子电导有效质量和弛豫Si_1-xGe_x材料(101)面生长的应变Si 关键词： 应变Si K·P法 电导有效质量     

Electronic band structure of pseudo-binary AlB2-like hexagonal silicides SrNixSi2−x as novel low-TC superconductors

The very recently discovered pseudo-binary hexagonal silicide SrNi_xSi_2−x, which exhibits low-T_C superconductivity, was examined theoretically to understand the effect of the unusual doping type (partial replacement of Si by Ni) on the electronic band structure of this material. Besides, the possible factors of the stabilization of the hexagonal AlB₂-type structure of SrSi₂ upon substitution of Ni for Si, and the solubility limit of Ni in SrNi_xSi_2−x are discussed in terms of competing Si–Si, Si–Ni, and Ni–Ni bonds.     

Electronic states and phonon properties of GexSi1−x nanostructures

Ge_xSi_1−x nanostructures that can be manipulated through size reduction, geometry variation, and alloying, are considered as one of the key developments for next generation technologies, due to their easy processing, unique properties, and compatibility with the existent silicon-based microelectronic industry. In this review, we have thoroughly discussed the major advances in electronic structures and phonon properties of Ge_xSi_1−x nanocrystals (NCs). Experimental and theoretical characterization related to several main factors, for example, size, composition, strain, temperature, and interface and surface were presented with special emphasis in low-frequency Raman scattering. Current difficulties in explaining the Raman spectra are the assignment of the low-frequency modes because of the complexity of the environment around the NCs, thus different theoretical models are introduced in detail to deal with different properties of Ge_xSi_1−x alloy NCs including Lamb’s theory, complex-frequency (CF) model, core–shell matrix (CMS) model and spatial coherence effect model.