应变Si1-xGex能带结构研究

采用结合形变势理论的K.P微扰法建立了（001）,（101）和（111）面弛豫Si衬底上生长的应变Si_1-xGe_x（x≤0.5）的能带结构模型,获得了其导带带边能级、价带带边能级、导带劈裂能、价带劈裂能及禁带宽度随Ge组分（x）的函数变化关系,该量化数据对器件研究设计可提供有价值的参考． 关键词： 1-xGe_x')" href="#">应变Si_1-xGe_x K.P 法 能带结构     

应变Si/(001)S1－xGex本征载流子浓度模型

利用应变Si CMOS技术提高载流子迁移率是当前研究发展的重点,本征载流子浓度是应变Si材料的重要物理参数,也是决定应变Si器件电学特性的重要参量.本文基于K.P理论框架,从分析应变Si/（001）Si_1-xGe_x材料能带结构出发,详细推导建立了300K时与Ge组分（x）相关的本征载流子浓度模型.该数据量化模型可为Si基应变器件物理的理解及器件的研究设计提供有价值的参考. 关键词： 应变Si 有效态密度 本征载流子浓度     

Si_（1－x）Ge_x／Si量子阱发光材料的分子束外延生长及其结构研究

采用固源Ｓｉ分子束外延，在较高的生长温度于Ｓｉ（１００）衬底上制备出Ｓｉ１－ｘＧｅｘ／Ｓｉ量子阱发光材料．发光样品的质量和特性通过卢瑟福背散射、Ｘ射线双晶衍射及光致发光评估．背散射实验中观察到应变超晶格的反常沟道效应；Ｘ射线分析表明材料的生长是共度的、无应力释放的，结晶完整性好．低温光致发光主要是外延合金量子阱中带边激子的无声发射和横光学声子参与的激子复合．并讨论了生长温度对量于阱发光的影响．     

Dependency of photoluminescence from SiO_2 thin films containing Si_(1-x)Ge_x quantum dots on Ge/Si doping ratio

SiO2 thin films containing Si1-xGex quantum dots （QDs） are prepared by ion implantation and annealing treatment. The photoluminescence （PL） and microstructural properties of thin films are investigated. The samples exhibit strong PL in the wavelength range of 400-470 nm and relatively weak PL peaks at 730 and 780 nm at room temperature. Blue shift is found for the 400-nm PL peak, and the intensity increases initially and then decreases with the increase of Ge-doping dose. We propose that the 400-470 nm PL band originates from multiple luminescence centers, and the 730- and 780-nm PL peaks are ascribed to the Si=O and GeO luminescence centers.     

Valence band structure of strained Si/(111)Si_(1-x)Ge_x

The strained Si techique has been widely adopted in the high-speed and high-performance devices and circuits. Based on the valence band E-k relations of strained Si/(111)Si1-xGex, the valence band and hole effective mass along the [111] and [-110] directions were obtained in this work. In comparison with the relaxed Si, the valence band edge degeneracy was partially lifted, and the significant change was observed band structures along the [111] and [-110] directions, as well as in its corresponding hole eff...     

应变Si1－xGex/(111)Si空穴有效质量模型

利用应变Si_1-xGe_x/(111)Si材料价带E(k)-k关系,研究获得了沿不同晶向的空穴有效质量,并在此基础上,建立了空穴各向同性有效质量模型.结果表明,与弛豫材料相比,应变Si_1-xGe_x/(111)Si材料价带带边空穴有效质量各向异性更加显著,带边空穴各向同性有效质量随Ge组分明显减小.该研究成果可为Si基应变PM 关键词： 1-xGe_x')" href="#">应变Si_1-xGe_x 空穴有效质量 价带     

Erbium germanosilicide Ohmic contacts on Si_(1-x)Ge_x(x=0-0.3) substrates

We have studied erbium germanosilicide (ErSiGe) Ohmic contacts on n-type Si_(1-x)Ge_x substrates with differing Ge concentrations (0≤x≤0.3).Thin layers of Ti (20 nm)/Er (20 nm) were deposited on Si_(1-x)Ge_x substrates and then post-annealed at 600°C for 60 s to form a stable ErSiGe film.The structures of the ErSiGe films and ErSiGe/Si_(1-x)Ge_x interfaces were characterized by Transmission Electron Microscopy measurements (TEM).The TEM images showed that the thicknesses of ErSiGe films and the Si_(1-x)Ge_x...     

Effects of rapid thermal annealing on crystallinity and Sn surface segregation of Ge_(1-x)Sn_x films on Si(100) and Si(111)

Germanium-tin films with rather high Sn content(28.04% and 29.61%) are deposited directly on Si(100) and Si(111)substrates by magnetron sputtering. The mechanism of the effect of rapid thermal annealing on the Sn surface segregation of Ge_(1-x)Sn_x films is investigated by x-ray photoelectron spectroscopy(XPS) and atomic force microscopy(AFM). The x-ray diffraction(XRD) is also performed to determine the crystallinities of the Ge_(1-x)Sn_x films. The experimental results indicate that root mean square(RMS) values of the annealed samples are comparatively small and have no noticeable changes for the as-grown sample when annealing temperature is below 400℃. The diameter of the Sn three-dimensional(3 D) island becomes larger than that of an as-grown sample when the annealing temperature is 700℃. In addition, the Sn surface composition decreases when annealing temperature ranges from 400℃ to 700℃. However, Sn bulk compositions in samples A and B are kept almost unchanged when the annealing temperature is below 600℃. The present investigation demonstrates that the crystallinity of Ge_(1-x)Sn_x/Si(111) has no obvious advantage over that of Ge_(1-x)Sn_x/Si(100) and the selection of Si(111) substrate is an effective method to improve the surface morphologies of Ge_(1-x)Sn_x films. We also find that more severe Sn surface segregation occurs in the Ge_(1-x)Sn_x/Si(111) sample during annealing than in the Ge_(1-x)Sn_x/Si(100) sample.     

Coexistence of positive and negative magnetic entropy changes in CeMn_2(Si_(1-x)Ge_x)_2 compounds

A series of CeMn2(Si1-xGex)2(x = 0.2, 0.4, 0.6, 0.8) compounds are prepared by the arc-melting method. All the samples primarily crystallize in the Th Cr2Si2-type structure. The temperature dependences of zero-field-cooled(ZFC) and FC magnetization measurements show a transition from antiferromagnetic(AFM) state to ferromagnetic(FM) state at room temperature with the increase of the Ge concentration. For x = 0.4, the sample exhibits two kinds of phase transitions with increasing temperature: from AFM to FM and from FM to paramagnetic(PM) at around TN~197 K and T C~300 K,respectively. The corresponding Arrott curves indicate that the AFM–FM transition is of first-order character and the FM–PM transition is of second-order character. Meanwhile, the coexistence of positive and negative magnetic entropy changes can be observed, which are corresponding to the AFM–FM and FM–PM transitions, respectively.     

Transient-enhanced Si diffusion on natural-oxide-covered Si(0 0 1) nano-structures during vacuum annealing

The morphology of annealed patterned Si(0 0 1) wire templates was studied by several techniques. We found an enormous Si-mass transport on the Si surface at usual oxide desorption temperatures around 900°C under UHV conditions. Heat treatment of 5 min transforms the initially rectangular wire profiles with a height of 300 nm to flat (<100 nm) and faceted triangular ridges exhibiting thermodynamically preferred {1 1 1}- and {3 1 1}-facets.It was found that the natural SiO₂ on the predefined wire pattern must be responsible for the degradation of the wire structure. Removing the SiO₂ layer from the Si wires ex situ with an HF dip preserves the rectangular structures during high-temperature annealing. The Si–SiO₂ interface was investigated with high-resolution transmission electron microscopy to image the Si wire surface and the natural oxide layer in detail.     

Ge_x Si_(1-x)/Si超晶格中纵声学声子的喇曼散射强度研究

本文用光弹理论,在全面考虑了超晶格中两种材料的声速,质量密度和光弹常数存在差别的基础上,计算了Ge_xSi_(1-x)/Si超晶格中折迭纵声学声子的喇曼散射强度,在高达50cm~(-1)的频率范围内,理论值和实验符合得很好。     

预注入对Si_(1-x)C_x合金形成的影响

室温下在单晶Si中注入 (0 6— 1 5 )at%的C原子 ,部分样品在C离子注入之前在其中注入2 9Si 离子产生损伤 ,然后在相同条件下利用高温退火固相外延了Si1 -xCx 合金 ,研究了预注入对Si1 -xCx 合金形成的影响 .如果注入C离子的剂量小于引起Si非晶化的剂量 ,在 95 0℃退火过程中注入产生的损伤缺陷容易与C原子结合形成缺陷团簇 ,难于形成Si1 -xCx 合金 ,预注入形成的损伤有利于合金的形成 .随着C离子剂量的增大 ,注入产生的损伤增强 ,预注入反而不利于Si1 -xCx 合金的形成 ,但当注入C原子的浓度超过固相外延的溶解度时 ,预注入的影响可以忽略 .退火温度升高到 10 5 0℃ ,无论预注入还是未预注入样品 ,C含量低的合金相仍然保留 ,而C含量高的合金相大部分消失 .     

Structural and electrical characterization of annealed Si1-xCx/SiC thin film prepared by magnetron sputtering

Si-rich Sil-xCx/SiC multilayer thin films are prepared using magnetron sputtering, subsequently followed by thermal annealing in the range of 800-1200 ℃. The influences of annealing temperature （Ta） on the formation of Si and/or SiC nanocrystals （NCs） and on the electrical characteristics of the multilayer film are investigated by using a variety of analytical techniques, including X-ray diffraction （XRD）, Raman spectroscopy and Fourier transform infrared spectrometry （FT-IR）, current-voltage （I-V） technique, and capacitance-voltage （C-V） technique. XRD and Raman analyses indicate that Si NCs begin to form in samples for Ta _ 800 ~C. At annealing temperatures of 1000 ℃ or higher, the formation of Si NCs is accompanied by the formation of SiC NCs. With the increase in the annealing temperature, the shift of FT-IR Si-C bond absorption spectra toward a higher wave number along with the change of band shape can be explained by a Si-C transitional phase between the loss of substitutional carbon and the formation of SiC precipitates and a precursor for the growth of SiC crystalline. The C-V and I-V results indicate that the interface quality of Si1-xCx/SiC multilayer film is improved significantly and the leakage current is reduced rapidly for Ta ≥ 1000 ℃, which can be ascribed to the formation of Si and SiC NCs.     

Effects of high-dose Ge ion implantation and post-implantation annealing on ZnO thin films

This paper reports that ion implantation to a dose of 1×10¹⁷ ions/cm² was performed on c-axis-orientated ZnO thin films deposited on (0001) sapphire substrates by the sol-gel technique. After ion implantation, the as-implanted ZnO films were annealed in argon ambient at different temperatures from 600-900℃. The effects of ion implantation and post-implantation annealing on the structural and optical properties of the ZnO films were investigated by x-ray diffraction (XRD), photoluminescence (PL). It was found that the intensities of (002) peak and near band edge (NBE) exitonic ultraviolet emission increased with increasing annealing temperature from 600-900℃. The defect related deep level emission (DLE) firstly increased with increasing annealing temperature from 600- 750℃, and then decreased quickly with increasing annealing temperature. The recovery of the intensities of NBE and DLE occurs at \sim 850℃ and \sim 750℃ respectively. The relative PL intensity ratio of NBE to DLE showed that the quality of ZnO films increased continuously with increasing annealing temperature from 600 - 900℃.     

Room temperature oxidation of Cu(3)Ge films grown on Si and Si(1-x)Ge(x) substrates

Room temperature oxidation of Cu3Ge films grown on Si, Si(0.85)Ge(0.15) and Si(0.52)Ge(0.48) substrates, respectively, at a temperature of 200-300 degrees C was studied using transmission electron microscopy (TEM) in conjunction with energy dispersive spectrometry (EDS) and scanning electron microscopy (SEM). For Cu(3)Ge films grown at 200 degrees C and subsequently exposed in air for 1 week oxide protrusions and oxide networks appeared in the film surface and grain boundaries of Cu(3)Ge, respectively. At room temperature O from air and Si from the substrate, diffused along the grain boundaries of Cu(3)Ge to react with Cu(3)Ge grains, initiating the Cu(3)Si-catalyzed oxidation. Cu(3)Ge films are superior to Cu(3)(Si(1-x)Gex) films in retarding Cu(3)Si-catalyzed oxidation. Annealing at 300 degrees C allowed Si diffusion from the substrate into the Cu(3)Ge overlayer to form Cu(3)(Si(1-x)Gex), enhancing the Cu(3)Si-catalyzed oxidation rate. In the present study, Cu(3)Ge films grown on Si(0.52)Ge(0.48) at 200 degrees C show the best resistance to room temperature oxidation because higher Ge concentration in the substrate and lower temperature annealing can more effectively retard Si diffusion from the substrate into the Cu(3)Ge overlayer, and hence reduce the Cu(3)Si-catalyzed oxidation rate.     

1.55μmSi_(1-x)Ge_x光波导与Si_(1-x)Ge_x/Si多量子阱探测器集成的优化设计

对１．５５μｍ波长的Ｓｉ１－ｘＧｅｘ光波导和Ｓｉ１－ｘＧｅｘ／Ｓｉ多量子阱（ＭＱＷ）红外探测器的集成器件结构进行了系统的分析和优化设计。优化结果为：１）对Ｓｉ１－ｘＧｅｘ光波导，Ｇｅ含量ｘ＝０．０５，脊宽、高和腐蚀深度分别为８、３和２．６μｍ；２）对Ｓｉ１－ｘＧｅｘ／Ｓｉ多量子阱红外探测器，Ｇｅ含量ｘ＝０．５，探测器由厚度为５５０ｎｍ、２３个周期的６ｎｍＳｉ０．５Ｇｅ０．５＋１７ｎｍＳｉ组成，长度约２ｍｍ。结果表明，这种结构器件的内量子效率可达８８％。     

Sn1-x(In1-yCuy)xO薄膜的合成

利用真空反应蒸发技术,在氧分压约为8.5×10-2Pa、衬底温度为400℃条件下蒸发高纯度的铟、锡和铜,在玻璃衬底上制备出Sn1-x(In1-yCuy)xO薄膜.研究了蒸发源材料质量比不同的样品的薄膜结构、透过率、薄膜的方块电阻和电阻率与温度的关系.实验结果表明,Sn1-x(In1-yCuy)xO透明导电薄膜具有优良的光电特性,而且制备出的Sn1-x(In1-yCuy)xO薄膜中In的含量大大减少,可以成为ITO薄膜的潜在替代材料.     

Effects of Pr substitution on the hydrogenating process and magnetocaloric properties of La_(1-x)Pr_xFe_(11.4)Si_(1.6)H_y hydrides

In this paper, we study the effects of Pr substitution on the hydrogenating process and magnetocaloric properties of La_(1-x)Pr_xFe_(11.4)Si_(1.6)H_y hydrides. The powder x-ray diffraction patterns of the La_(1-x)Pr_xFe_(11.4)Si_(1.6) and its hydrides show that each of the alloys is crystallized into the single phase of cubic Na Zn_(13)-type structure. There are hydrogen-absorbing plateaus under 0.4938 MPa and 0.4882 MPa in the absorbing curves for the La_(0.8)Pr_(0.2)Fe_(11.4)Si_(1.6) and La_(0.6)Pr_(0.4)Fe_(11.4)Si_(1.6) compounds. The releasing processes lag behind the absorbing process, which is obviously different from the coincidence between absorbing and releasing curves of the La Fe_(11.4)Si_(1.6) compound. The remnant hydrogen content for La_(0.6)Pr_(0.4)Fe_(11.4)Si_(1.6) is significantly more than that for La_(0.8)Pr_(0.2)Fe_(11.4)Si_(1.6) after hydrogen desorption, indicating that more substitutions of Pr for La are beneficial to retaining more hydrogen atoms in the alloys. The values of maximum magnetic entropy change are 14.91 J/kg·K and 17.995 J/kg·K for La_(0.8)Pr_(0.2)Fe_(11.4)Si_(1.6)H_(0.13) and La_(0.6)Pr_(0.4)Fe_(11.4)Si_(1.6)H_(0.87),respectively.     

Si_3分子基态(X~1A_1)的结构与分析势能函数

应用群论及原子分子反应静力学方法推导Si分子的电子态及其离解极限,在B3P86/CC-PVTZ水平上,对Si3分子基态进行优化计算,得出Si3基态的单重态能量最低,其稳定构性为的C2V构型,平衡核间距Re=0.2176nm、∠213=79.7°,能量为-869.2057a.u..同时计算出基态的简正振动频率:对称伸缩振动频率ν(B2)=547.6446cm-1,弯曲振动频率ν(A1)=185.6100cm-1和反对称伸缩振动频率ν(A1)=559.6090cm-1.在此基础上,使用多体项展式理论方法,导出了基态Si3分子的全空间解析势能函数,该势能函数准确再现了Si3(C2V)平衡结构.     

Influence of thermal annealing on optical and structural properties change in Bi-doped Ge30Se70 thin films

The effect of annealing on the structural and optical properties of thermally evaporated Ge₃₀Se₇₀ and Ge₃₀Se₆₀Bi₁₀ thin films is reported in this paper. The prepared films were thermally annealed at 250°C to optimize the optical properties which can be used for the optical device fabrication. X-ray diffraction study revealed no structural transformation whereas the surface morphology changed as observed from scanning electron microscopy. The optical properties of the deposited and annealed films have been investigated by using a UV–VIS–NIR spectrophotometer in the wavelength range of 400–1100?nm. The optical band gap of the Ge₃₀Se₇₀ annealed film is found to be increased while the energy gap of the Bi-doped annealed Ge₃₀Se₆₀Bi₁₀ thin film decreased which is explained by the chemical disorderness, defect states and density of localized states in the mobility gap. The Tauc parameter and Urbach energy which measure the degree of disorder changed with the annealing process. The transmittivity increases and the absorption power decreases in the Ge₃₀Se₇₀ annealed film, whereas the reverse effect is noticed for the annealed Ge₃₀Se₆₀Bi₁₀ thin film. The irreversible nature of this change can be useful for optical recording purposes.