Silicon-germanium nanostructures with high germanium concentration

The impact of nucleation conditions on the quality of epitaxial layers of germanium and GeSi alloys containing a high Ge mole fraction grown on (100) silicon substrates using electron-beam epitaxy is considered. The Ge_xS_{1 -x}/Ge superlattices are grown on a Ge_ySi_{1 -y} (x > y) relaxed buffer layer. X-ray diffractometry, atomic force microscopy and Auger spectroscopy are the main techniques used to study the properties of the grown structures.     

Study of the component distribution in Si/GexSi1−x /Si heterostructures grown by molecular beam epitaxy

This paper reports on a study of the depth profile of components in GeSi heterostructures grown on low-temperature silicon (LTSi: T _gr ～ 350–400° C) and porous silicon by molecular-beam epitaxy. An excess Ge concentration was found by Auger electron spectroscopy depth profiling at the Ge_xSi_1?x /LTSi interface, which decreased in all samples subjected to annealing. The Ge diffusion activation energy was calculated to be E _a ≈ 1.6 eV in this case. An enhanced Ge concentration was also detected by x-ray photoelectron spectroscopy at the Si cap surface. Possible reasons for the surface enrichment of the silicon layer and of the Ge_xSi_1?x film interface by germanium are considered, and the relation between the component distribution and the structural features of plastically strain-relieved layers are discussed.     

Nanocrystal growth of single-phase Si1−xGex alloys

We present the formation of single-phase Si_1−xGe_x (x=0.2, 0.4, 0.6, and 0.8) alloy nanocrystals dispersed in a SiO₂ matrix. The studied samples were prepared by co-sputtering with excess Si_1−xGe_x in SiO₂ of approximately 33 at%. Upon heat treatment, crystallization of Si_1−xGe_x alloys was examined by using X-ray diffraction and high-resolution transmission electron microscopy measurements. Single structure of face-centered cubic nanocrystals in a space group Fd-3m was concluded. The average nanocrystal size (from 2 nm to 10 nm) and the lattice constant a of the single-phase Si_1−xGe_x nanocrystals were found to increase with the Ge composition parameter x. Density functional theory-generalized gradient approximation calculation showed the replacement of Ge into the Si sites and vice versa.     

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.     

Ellipsometry studies of Si/Ge superlattices with embedded Ge dots

In this paper, we present an analysis for treating the spectroscopic ellipsometry response of Si/Ge superlattices (SLs) with embedded Ge dots. Spectroscopic ellipsometry (SE) measurement at room temperature was used to investigate optical and electronic properties of Si/Ge SLs which were grown on silicon (Si) wafers having 〈111〉 crystallographic orientation. The results of the SE analysis between 200 nm and 1000 nm indicate that the SL system can effectively be described using an interdiffusion/intermixing model by assuming multicrystalline Si and Si_1?x Ge _x intermixing layers. The electronic transitions deduced from the analysis reveal Si-, Ge- and alloying-related critical energy points.     

Influence of a predeposited Si1−x Gex layer on the growth of self-assembled SiGe/Si(001) islands

The growth of self-assembled Ge(Si) islands on a strained Si_1?xGe_x layer (0% < x < 20%) is studied. The size and the surface density of islands are found to increase with Ge content in the Si_1?xGe_x layer. The increased surface density is related to augmentation of the surface roughness after deposition of the SiGe layer. The enlargement of islands is accounted for by the decrease of the wetting layer in thickness due to the additional elastic energy accumulated in the SiGe layer and to enhanced Si diffusion from the Si_1?xGe_x layer into the islands. The increase in the fraction of the surface occupied by islands leads to a greater order in the island arrangement.     

Preferential etching of Si–Si bond in the microcrystalline silicon germanium

Hydrogenated microcrystalline silicon germanium (μc-Si_1?xGe_x:H) films were investigated as a bottom cell absorber in multi-junction solar cells. μc-Si_1?xGe_x:H films were prepared using very high frequency (VHF, 60 MHz) plasma enhanced chemical vapor deposition (PECVD) systems working pressure of about 1.5 Torr. The precursor flow rates were carefully controlled to determine the phase transition point and to improve the crystallinity of μc-Si_1?xGe_x:H. A relatively high plasma power was necessary to have the high hydrogen (H₂) dilution. Raman spectroscopy study showed transition steps from amorphous to microstructure morphology as hydrogen dilution increasing. Crystallite Si–Ge and Ge–Ge bonds were occurred at relatively higher H₂ dilution compare to crystallite Si–Si bond. The rapidly increased Ge content as increasing the H₂ dilution is believed mainly due to the different decomposition rate of silane (SiH₄) and germane (GeH₄). The other reason of high Ge content even at the low GeH₄ precursor flow rate is probably due to the preferential etching of silicon atom by H₂. The preferential etching of Si–H possibly occurred in very highly concentrated H₂ plasma due to the preferential attachment of Si–H. The compositions of μc-Si_1?xGe_x:H films measured using RBS were Si_0.83Ge_0.17, Si_0.67Ge_0.33 and Si_0.59Ge_0.41 at H₂/SiH₄ flow rate of 60, 80 and 100, respectively. μc-Si_1?xGe_x:H films showed the dark (σ_d) and photo conductivity (σ_p) of about 10^?7 and 10^?5 S/cm, respectively and photo response (σ_p/σ_d) was about 10². This study will present the comprehensive evaluation of crystallization behavior of μc-Si_1?xGe_x:H films.     

Photoconductivity of Si/Ge/SiO<Subscript>x</Subscript> and Si/Ge/Si structures with germanium quantum dots

A nonmonotonic dependence of the lateral photoconductivity (PC) on the interband light intensity is observed in Si/Ge/Si and Si/Ge/SiO_x structures with self-organized germanium quantum dots (QDs): in addition to a stepped increase in PC, a stepped decrease in PC is also observed. The effect of temperature and drive field on these features of the PC for both types of structures with a maximum nominal thickness of the Ge layer (N_Ge) is studied. The results obtained are discussed in the context of percolation theory for nonequilibrium carriers localized in different regions of the structure: electrons in the silicon matrix and holes in QDs.     

Effect of the Ge content on the Schottky barrier height in structures based on Si1 − x Ge x solid solution

The subject of investigation is the influence of the Ge content on the Schottky barrier height in Au-p-i-n/Al structures based on Si_{1 ? x} Ge _x (0 < x < 0.26) solid solutions grown by electron-beam floating-zone melting. In Au-i-Si_{1 ? x} Ge _x , Au-αGe/Si(Li), Au-αGe/Si, and Au-n-Si_{1 ? x} Ge _x structures, the height of the barrier is about 1 eV, which exceeds the average value of this parameter for silicon available in the literature. It is shown that an excess Ge concentration in the near-surface region of the Si_{1 ? x} Ge _x crystal causes self-passivation of the surface, which leads to a rise in the barrier height. In the Au-i-Si_{1 ? x} Ge _x structures, the Schottky barrier height increases from 0.97 to 1.03 eV as Ge content x increases from 0 to 0.11.     

Specific features of plastic relaxation of a metastable Ge x Si1 − x layer buried between a silicon substrate and a relaxed germanium layer

Heterostructures Ge/Ge _x Si_{1 ? x} /Si(001) grown by molecular beam epitaxy have been investigated using atomic scale high-resolution electron microscopy. A germanium film (with a thickness of 0.5–1.0 μm) grown at a temperature of 500°C is completely relaxed. An intermediate Ge_0.5Si_0.5 layer remains in a strained metastable state, even though its thickness is 2–4 times larger than the critical value for the introduction of 60° misfit dislocations. It is assumed that the Ge/GeSi interface is a barrier for the penetration of dislocations from a relaxed Ge layer into the GeSi layer. This barrier is overcome during annealing of the heterostructures for 30 min at a temperature of 700°C, after which dislocation networks having different degrees of ordering and consisting predominantly of edge misfit dislocations are observed in the Ge/GeSi and GeSi/Si(001) heteroboundaries.     

Si–Si optical phonon behavior in localized Si clusters of Si<Subscript><Emphasis Type="Italic">x</Emphasis></Subscript>Ge<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript> alloy nanocrystals

Raman spectra acquired from Si _x Ge_1−x -nanocrystal-embedded SiO₂ films show dependence of the Si–Si optical phonon frequency on Si content. The frequency upshifts, and peak intensity increases as the silicon concentration increases. For a given Si content, the frequency remains unchanged with annealing temperature. Spectral analysis and density functional theory calculation reveal that the optical Si–Si phonon is related to the formation of localized Si clusters surrounded by Si/Ge atomic layers in the Si _x Ge_1−x nanocrystals and the intensity enhancement arises from the larger cluster size. The synergetic effect of surface tensile stress and phonon confinement determines the Si–Si optical phonon behavior.     

Electronic structure,mechanical and optical properties of ternary semiconductors Si1-xGexC (X = 0, 0.25, 0.50, 0.75, 1)

The electronic structure of silicon carbide with increasing germanium content have been examined using first principles calculations based on density functional theory. The structural stability is analysed between two different phases, namely, cubic zinc blende and hexagonal phases. The zinc blende structure is found to be the stable one for all the Si_1-xGe_xC semiconducting carbides at normal pressure. Effect of substitution of Ge for Si in SiC on electronic and mechanical properties is studied. It is observed that cubic SiC is a semiconductor with the band gap value 1.243?eV. The band gap value of SiC is increased due to the substitution of Ge and the band gap values of Si _0.75 Ge _0.25 C, Si _0.50 Ge _0.50 C, Si _0.25 Ge _0.75 C and GeC are 1.322 eV, 1.413 eV, 1.574 eV and 1.657?eV respectively. As the pressure is increased, it is found that the energy gap gets decreased for Si_1-x Ge_xC (X?=?0, 0.25, 0.50, 0.75, 1). The elastic constants satisfy the Born – Huang elastic stability criteria. The bulk modulus, shear modulus, Young’s modulus and Poisson’s ratio are also calculated and compared with the other available results.     

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.     

Wetting layer and size effects on the nonlinear optical properties of semi oblate and prolate Si0.7Ge0.3/Si quantum dots

Semi oblate and semi prolate are among the most probable self-organized nanostructures shapes. The optoelectronic properties of such nanostructures are not just manipulated with the height and lateral size but also with the wetting layer element. The practical interest of derivatives of germanium and silicon has a great important role in optoelectronic devices. This study is a contribution to the analysis of linear and nonlinear optical properties of Si_0.7Ge_0.3/Si. In the framework of the effective mass approximation, we solve numerically the Schrödinger equation relative to one particle confined in Si_0.7Ge_0.3/Si semi prolate and semi oblate quantum dots by using the finite element method and by taking into consideration the effect of the wetting layer. The energy spectrum of the lowest states and the dipolar matrix for the fourth allowed transitions are determined and discussed. We also calculate the detailed optical properties, including absorption coefficients, refractive index changes, second and third harmonic generation as a function of the quantum dot sizes. We found that with the change in the size of prolate and oblate quantum dots, there is a shift in the resonance peaks for the absorption coefficient and refractive index. It is due to the modification in the energy levels with changing size. The study proves a redshift in the second harmonic generation and third harmonic generation coefficients with an increase in the height/radius of the oblate/prolate quantum dot, respectively. We also demonstrated the variation of wavefunction inside the quantum dot with the change in wetting layer thickness.     

Effect of surface segregation on the sharpness of heteroboundaries in multilayered Si(Ge)/Si1−x Gex structures grown from atomic beams in vacuum

The main reasons for composition intermixing in the vicinity of heteroboundaries in an Si(Ge)/Si_1?x Ge_x heterosystem grown by the molecular beam epitaxy method are considered. The proposed model explains all the experimentally observed peculiarities, such as the clearly manifested asymmetry of the solid solution profile in layers, and demonstrates the noticeable erosion of the composition profile at the boundaries even in the absence of the surface segregation effect. It is shown that the surface segregation in the Ge/Si_1?x Ge_x system may play a positive role, leading to an increase in the profile steepness of the Si_1?x Ge_x layer near the boundaries.     

Double scattering effect and its application in Si<Subscript>1−<Emphasis Type="Italic">x</Emphasis></Subscript>Ge<Subscript>x</Subscript> solid solution diagnosis

The effect of double scattering of Ar⁺ ions from the surface of C, Al, Si, Ti, Ge, and In targets is studied by the method of slow scattered ion spectroscopy. Based on this effect, a technique to estimate the cluster phase of germanium atoms in the Si_1−x Ge_x solid solution with a small (5–10%) content of germanium is suggested.     

Effect of the composition of the solid solution on the high-temperature microhardness of SiGe heteroepitaxial layers grown on Ge and Si substrates

The effect of the composition of epitaxial layers (ELs) of the Si_xGe_1?x solid solution grown on Ge and Si substrates on their microhardness and the length of dislocation rosettes forming around indentations is studied at a homologous temperature 0.5T_melt for each composition. For the Si_xGe_1?x/Ge (0≤x<0.15) and Si_xGe_1?x/Si (0.85<x≤1) ELs, the dependences of the microhardness and the length of dislocation rosettes on the solid-solution composition are nonmonotonic. The nonmonotonic change in the plasticity of the ELs is most likely caused by hardening of the solid solutions in a certain composition range due to their spinodal decomposition with the formation of clusters and disperse precipitates.     

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     

Evolution of SiGe nanoclusters and micro defects in the Si1−xGex layer fabricated by two-step ion implantation and subsequent thermal annealing

The Si_1−xGe_x thin layer is fabricated by two-step Ge ion implantation into (0 0 1) silicon. The embedded SiGe nanoclusters are produced in the Si_1−xGe_x layer upon further annealing. The number and size of the nanoclusters changed due to the Ge diffusion during annealing. Micro defects around the nanoclusters are illustrated. It is revealed that the change of Si-Si phonon mode is causing by the nanoclusters and micro defects.     

Electronic and optical properties of Si and Ge nanocrystals: An ab initio study

First-principles calculations within density functional theory and many-body perturbation theory have been carried out in order to investigate the structural, electronic and optical properties of undoped and doped silicon nanostructures. We consider Si nanoclusters co-doped with B and P. We find that the electronic band gap is reduced with respect to that of the undoped crystals, suggesting the possibility of impurity based engineering of electronic and optical properties of Si nanocrystals. Finally, motivated by recent suggestions concerning the chance of exploiting Ge dots for photovoltaic nanodevices, we present calculations of the electronic and optical properties of a Ge₃₅H₃₆ nanocrystal, and compare the results with those for the corresponding Si₃₅H₃₆ nanocrystals and the co-doped Si₃₃BPH₃₆.