Modeling of hydrogen diffusion in p-type GaAs:Zn

Experimental hydrogen diffusion profiles are reported in undoped and zinc doped GaAs. Hydrogen was introduced by exposure to a hydrogen plasma. The hydrogen profiles are fit using a diffusion model which assumes that hydrogen has a donor level in the band gap and diffuses as H⁺ and H⁰ in the material. It is also assumed that H⁺ can be trapped by ionized acceptors to form neutral complexes. Good simulations are obtained in p-type GaAs for various doping levels. We find that neutral hydrogen is present with high concentration in the diffusion process and the hydrogen molecule formation is absent. The hydrogen donor level, the diffusivities of H⁺ and H⁰, the associated activation energies and the dissociation energy of the acceptor-hydrogen pairs are determined.     

Dilatometry of the high-temperature proton conductor Ba3Ca1.18Nb1.82O9 − δ

Firstly, the production of solid bulk specimens of the proton conductor Ba₃Ca_1.18Nb_1.82O_{9 − gd} (BCN18) of known water content up to [H^.] = n_H/n_Ba = 0.16 is described. Secondly, measuring the length change of such samples versus water content [H^.] demonstrated that the sample lengths increased linearly with a slope of (Δl/l)/[H^.] = (2.13 ±0.07) × 10⁻². Thirdly, the density of bulk samples was found to decrease linearly with water content [H^.]. This decrease was in good agreement with the above values derived from the length change. Fourthly, high temperature dilatometry showed that samples reach the thermodynamic solubility values in water vapor atmospheres only at temperatures above 700 °C. Two time scales were observed for the time-dependence of the elongation upon exposure to water vapor. A fast process occurred within minutes above 700 °C, a slow one took several hours. The fast one was identified as the chemical diffusion of the diffusion pair H^. and V_o^. which is required for the water uptake and loss of BCN18. The chemical diffusivity of water is described by the parameters D₀ = (0.022 ± 0.002) cm²/s and ΔH* = (0.79 ± 0.05) eV.     

First-principles calculations of hydrogen in bulk GaAs

We present the results of first-principles calculations of the properties of neutral (H⁰) and charged (H⁺ and H^-) hydrogen in bulk GaAs. The equilibrium sites are determined, and the electronic properties for the equilibrium positions are studied. H⁺ behaves as a deep donor and prefers to stay in a high valence charge region which includes the bond center. H^- behaves as a deep acceptor and prefers the low valence charge region near a tetrahedral site. H⁰ has an amphoteric behaviour depending on the site it occupies. We compare our results with the results of calculations for H in Si.     

First-principles investigation on diffusion behaviours of H isotopes: From W(110) surface into bulk and in bulk W

The diffusion behaviours of hydrogen (H), deuterium (D), and tritium (T) from W(110) surface into bulk and in bulk W are investigated using a first-principles calculations combined with simplified models. The diffusion energy barrier is shown to be 1.87 eV from W(110) surface to the subsurface, along with a much reduced barrier of 0.06 eV for the reverse diffusion process. After H enters into the bulk, its diffusion energy barrier with quantum correction is 0.19 eV. In terms of the diffusion theory presented by Wert and Zener, the diffusion pre-exponential factor of H is calculated to be 1.57×10^-7 m²·s^-1, and it is quantitatively in agreement with experimental value of 4.1×10^-7 m²·s^-1. Subsequently, according to mass dependence (√1/m ) of H isotope effect, the diffusion pre-exponential factors of D and T are estimated to be 1.11×10^-7 m²·s^-1 and 0.91×10^-7 m²·s^-1, respectively.     

Oxygen tracer diffusion in La1 − xSrxCoO3

Tracer diffusion of ¹⁸O in dense, polycrystalline La_1−xSr_xCoO₃ for x = 0.1 has been measured in the temperature range 400 to 600 °C and at 500 °C for x = 0.2 at an oxygen partial pressure of 1 × 10⁵ Pa. Depth profiles were obtained by secondary ion mass spectrometry. The diffusion coefficient for La_0.9Sr_0.1CoO₃ is given by D = (17–247) exp[(−232 ± 8 kJ/mole)/RT] cm²/s. This value is several orders of magnitude lower than D extrapolated from the results for x = 0.2 measured in the 700–900 °C temperature range. One possible explanation for the discrepancy is that the two measurements reflect different diffusion paths. As expected, La_0.8Sr_0.2CoO₃ exhibits a higher diffusivity at 500 °C than does La_0.9Sr_0.1CoO₃.     

Carrier relaxation in InGaAs

A modelocked Nd: YAG pumped optical parametric amplifier providing 35 ps pulses in the wavelength range λ = 1.45−2.1 μm has been used to study photoexcited carrier recombination in InGaAs. At carrier densities in excess of 10¹⁸ cm^-3 Auger processes are found to dominate the carrier recombination. An Auger rate of 2.5±0.5×10^-28 cm⁶ s^-1 is determined.     

Boron diffusion in bcc-Fe studied by first-principles calculations

The diffusion mechanism of boron in bcc-Fe has been studied by first-principles calculations. The diffusion coefficients of the interstitial mechanism, the B–monovacancy complex mechanism, and the B–divacancy complex mechanism have been calculated. The calculated diffusion coefficient of the interstitial mechanism is D_0= 1.05 ×10~(-7)exp(-0.75 e V/k T) m~2· s~(-1), while the diffusion coefficients of the B–monovacancy and the B–divacancy complex mechanisms are D_1= 1.22 × 10~(-6)f1exp(-2.27 e V/k T) m~2· s~(-1)and D_2≈ 8.36 × 10~(-6)exp(-4.81 e V/k T) m~2· s~(-1), respectively. The results indicate that the dominant diffusion mechanism in bcc-Fe is the interstitial mechanism through an octahedral interstitial site instead of the complex mechanism. The calculated diffusion coefficient is in accordance with the reported experiment results measured in Fe–3%Si–B alloy(bcc structure). Since the non-equilibrium segregation of boron is based on the diffusion of the complexes as suggested by the theory, our calculation reasonably explains why the non-equilibrium segregation of boron is not observed in bcc-Fe in experiments.     

Oxygen diffusion and surface exchange in La1−xSrxFe0.8Cr0.2O3−δ (x=0.2, 0.4 and 0.6)

Oxygen tracer diffusion (D*) and surface exchange rate constant (k*) have been measured, using isotopic exchange and depth profiling by secondary ion mass spectrometry (SIMS), in La_1−xSr_xFe_0.8Cr_0.2O_3−δ (x=0.2, 0.4 and 0.6). Measurements were made as a function of temperature (700–1000 °C) and oxygen partial pressure (0.21–10⁻²¹ atm) in dry oxygen, water vapour and water vapour/hydrogen/nitrogen mixtures. At high oxygen activity, D* was found to increase with increasing temperature and Sr content. The activation energies for D* in air are 2.13 eV (x=0.2), 1.53 eV (x=0.4) and 1.21 eV (x=0.6). As the oxygen activity decreases, D* increases as expected qualitatively from the increase in oxygen vacancy concentration. Under strongly reducing conditions, the measured values of D* at 1000 °C range from 10⁻⁸ cm² s⁻¹ for x=0.2 to 10⁻⁷ cm² s⁻¹ for x=0.4 and 0.6. The activation energies determined at constant H₂O/H₂ ratio are 1.21 eV (x=0.2), 1.59 eV (x=0.4) and 0.82 eV (x=0.6).

The surface exchange rate constant of oxygen for the H₂O molecule is similar in magnitude to that for the O₂ molecule and both increase with increasing Sr concentration.     

Electron paramagnetic resonance of hydrogen in silicon

A review of the investigations by means of electron paramagnetic resonance (EPR) of hydrogen and hydrogen-related defects in crystalline silicon is presented. The main features of the EPR center Si-AA9 (bond-centered hydrogen), which is known as the hydrogenic analogue of the anomalous muonium (Mu^*) in silicon, are discussed. It was found that the process of annealing the AA9 center is characterized by an activation energy, E = 0.48 ± 0.04 eV with a second-order pre-exponential factor, K₀ = (1.25 ± 2.5) × 10^-7 cm³/s.

A detailed investigation by EPR of the defect (Si-AA1), which we identify as the hydrogen-related shallow donor in a positive charge state, is also presented. In particular it is shown that the H-related shallow donor is a helium-like center and its wave function has C_2v symmetry. Moreover, the main features of the series of EPR spectra in silicon characteristic for the implantation of hydrogen are presented.     

圆筒内氢等离子体非定常化学反应羽流场DSMC分析

利用直接模拟Monte Carlo方法研究圆筒侧壁注入氢等离子体羽流场在8×10^-6s内的非定常流动特性.根据Bird的化学反应模型考虑离解-复合反应模型和电荷转移反应模型.在流场中注入H₂、H、金属原子X、H₂⁺和H⁺五种组分,研究离解-复合反应对流场中粒子分布和密度的影响,结果表明离解-复合反应使H₂数密度降低,H数密度增加,说明在流场中H₂的离解反应速率大于H的复合反应速率.加入电荷转移反应后H₂⁺数密度降低,H⁺数密度增加,对其他组分数密度没有显著影响.     

金属与半导体Ge欧姆接触制备、性质及其机理分析

金属与Ge材料接触时界面处存在着强烈的费米钉扎效应, 尤其与n型Ge形成的欧姆接触的比接触电阻率高, 是制约Si基Ge器件性能的关键因素之一. 本文对比了分别采用金属Al和Ni 与Si衬底上外延生长的p型Ge和n型Ge材料的接触特性. 发现在相同的较高掺杂条件下, NiGe与n型Ge可形成良好的欧姆接触, 其比接触电阻率 较 Al接触降低了一个数量级, 掺P浓度为2×10¹⁹ cm^-3时达到1.43×10^-5 Ω·cm². NiGe与p型Ge接触和Al接触的比接触电阻率相当, 掺B浓度为4.2×10¹⁸ cm^-3时达到1.68×10^-5 Ω·cm². NiGe与n型Ge接触和Al电极相比较, 在形成NiGe过程中, P杂质在界面处的偏析是其接触电阻率降低的主要原因. 采用NiGe作为Ge的接触电极在目前是合适的选择. 关键词： 金属与Ge接触性质 NiGe 比接触电阻率     

Time-dependent response of interface states determined by using differential isothermal transient spectroscopy

A method based on the differential analysis of the isothermal transients is proposed to study the dynamical properties of the charging and discharging of interface states, and several possibilities of using this method are shown. The results obtained in SiO₂/Si and Si₃N₄/SiO₂/Si samples are in agreement with the existence of a spatial and energy distribution of interface states within the insulator. From the experimental data, the concentration of traps within the insulator at 35 Å is estimated to be 5×10⁹ cm^-2 eV^-1, with a tunneling cross section 10^-19 cm², at E_c-E ≈ 0.2 eV.     

The Ti/c-Si solid state reaction III. The low-temperature reaction kinetics

Thin Ti layers (≈10nm) are grown on top of a clean Si(111) substrate. Heating these layers initiates a solid state reaction, yielding a monosilicide phase at ≈350°C and a C49 disilicide at ≈450°C. The present study concerns the growth kinetics of both phases by means of ellipsometry. A diffusion-limited growth kinetics is found for the monosilicide formation. However, two growth rates are observed, a fast initial one and a slow terminal growth rate. An enhanced Si diffusion in atomically disordered regions as compared to well ordered regions (grains or clusters) could be an explanation. From the measurements we have found a value of 2×10^-15 cm²/s for the diffusion coefficient at ≈370°C and an activation energy of 0.62 ± 0.1 eV. Both values correspond to the fast process. Subsequently increasing the temperature to ≈450°C permits the growth of the homogeneous C49 TiSi₂ phase. For this process, both planar layer growth and intermixing are observed, however, quantitative results could not be derived from the present study.     

高Yb3+/Er3+掺杂的磷基有源光纤材料的光谱性质

研究了Yb³⁺/Er³⁺共掺60P₂O₅-15BaO-10Al₂O₃-5ZnO-10R₂O（R=Na,K）以P₂O₅为主体的磷基有源光纤材料的光谱性质,以及不同Yb³⁺/Er³⁺掺杂浓度对光谱性质的影响规律。当Er³⁺浓度为9.100×10¹⁹/cm³、Yb³⁺的掺杂浓度为5.407×10²⁰/cm³、Yb³⁺/Er³⁺浓度比为6：1时,玻璃样品在1 531 nm处的受激发射截面最大,为6.17×10^-21 cm²。同时,其荧光寿命为9.73 ms,荧光半高宽为53.16 nm,发射截面与半高宽的乘积为3.28×10^-32 m³,综合性能最佳。     

SIMS STUDY OF OXYGEN SPIRAL DIFFUSION C-TEXTURED Yba2Cu3O7-δ/SrTiO3 EPITAXIAL THIN FILM

Secondary ion mass spectroscopy was used to study the chemical diffusivity of 0¹⁸ in c-textured YBa₂Cu₃O_7-δ/SrTiO₃ epitaxial thin film. By fitting experimental data to the one- dimensional diffusion curve, the apparent diffusivity along the c-axis was obtained to be equal to l.02×10¹⁴cm²/sec when the temperature was 350℃. A computer analysis method was put forward to calculate the "spiral diffusion" process, and the diffusivity anisotopy of films with different mosaic size obtained. For a film of 7000×7000?² mosaic size, Dab was found to be ～3.55×10^-5xexp((-1.03 ev)/kT) cm²/sec. The calculated results reveal that the variation of the results of Dc is not the result of diffusivity anisotropy but of the difference in mosaic size.     

Transport properties of SrCe0.95Y0.05O3−δ and its application for hydrogen separation

Transport properties of SrCe_0.95Y_0.05O_3−δ were studied by impedance spectroscopy and by measuring open-cell voltage (OCV) and gas permeation. Ionic transference numbers were determined by measuring the OCV of concentration cells and water vapor evolution of an O₂/H₂ fuel cell. We observed interfacial polarization on the basis of the I–V curves obtained by discharging a hydrogen concentration cell or an O₂/H₂ fuel cell. The observed high protonic conductivity (high proton and low oxide ion transference numbers) makes SrCe_0.95Y_0.05O_3−δ a potential material for hydrogen separation. From proton conductivity measurements, under a given hydrogen partial pressure difference of 4%/0.488%, the hydrogen permeation rate (of a dense membrane with 0.11 cm in thickness) was calculated to be ≈0.072 cm³ (STP) cm⁻² min⁻¹ at 800°C, whereas the permeation rate calculated from short-circuit current measurements was ≈0.023 cm³ (STP) cm⁻² min⁻¹ at 800°C. The difference between calculated and observed permeation rates is probably due to interfacial polarization.     

超薄EuF3电极修饰层对有机场效应晶体管性能的提升

采用EuF₃薄层修饰低功函数金属Ag源、漏电极,制备了CuPc有机场效应晶体管,研究了不同厚度EuF₃对器件性能的影响。结果表明,EuF₃的厚度由0 nm增至0.6 nm时,接触电阻由23.65×10⁵ Ω·cm减 至3.86×10⁵ Ω·cm,使得器件载流子迁移率由1.5×10^-3 cm²·V^-1·s^-1提高到4.65×10^-3 cm²·V^-1·s^-1。 UPS测试结果表明,薄层EuF₃在Ag与有机半导体间形成了界面偶极势垒,使源漏电极表面功函数增大,空穴注入势垒降低,Ag电极与有机半导体层界面的接触电阻减小,进而提升了空穴的注入效率。     

铜-钼源漏电极对非晶氧化铟镓锌薄膜晶体管性能的改善

在铜(Cu)和非晶铟镓锌氧化物(a-IGZO)之间插入30 nm厚的钼(Mo)接触层, 制备了具有Cu-Mo源漏电极的a-IGZO薄膜晶体管(TFT). Mo接触层不仅能够抑制Cu与a-IGZO有源层之间的扩散, 而且提高了Cu电极与玻璃基底以及栅极绝缘层的结合强度. 制备的Cu-Mo结构TFT与纯Cu 结构TFT相比, 具有较高的迁移率(～9.26 cm²·V^-1·s^-1)、更短的电流传输长度(～0.2 μm)、更低的接触电阻(～1072 Ω)和有效接触电阻率(～1×10^-4Ω·cm²), 能够满足TFT 阵列高导互联的要求.     

溶胶凝胶法制备以HfO2为绝缘层和ZITO为有源层的高迁移率薄膜晶体管

采用溶胶凝胶法制备了h-k氧化铪HfO₂薄膜, 经500℃退火后, 获得了高透过率、表面光滑、低漏电流和相对高介电常数的HfO₂薄膜. 并采用氧化铪作为绝缘层和锌铟锡氧化物作为有源层成功地制备了底栅顶接触结构薄膜晶体管器件. 获得的薄膜晶体管器件的饱和迁移率大于100 cm²·V^-1·s^-1, 阈值电压为-0.5 V, 开关比为5×10⁶, 亚阈值摆幅为105 mV/decade. 表明采用溶胶凝胶制备的薄膜晶体管具备高的迁移率, 其迁移率接近低温多晶硅薄膜晶体管的迁移率.     

The effects of hydrogen dose and thermal treatment on the formation of microsplits in hydrogen implanted GaAs

Transmission electron microscopy has been used to study the effect of thermal treatment on the formation of microsplits and damage rafts in hydrogen implanted (1 × 10¹⁶ and 5 × 10¹⁶ H⁺ cm^-2) and annealed (700 and 800°C) GaAs. The results show that microsplit and damage raft formation in implanted samples may be prevented if the samples are first given a pre-anneal heat treatment for 15 minute intervals at 300, 350, 400 and 450°C, during which the hydrogen concentration is reduced without allowing vacancy coalescence to take place.