Zn1-xTMxO (TM=Al,Ga, In)导电性能的模拟计算

基于密度泛函理论框架下的第一性原理平面波超软赝势方法, 构建了未掺杂与相同掺杂浓度的Zn_1-xTM_xO (TM=Al, Ga, In) 超胞模型,分别对模型进行了几何结构优化、态密度分布和能带分布的计算. 结果表明, 分别高掺杂 (Al, Ga, In) 相同原子分数3.125 at%的条件下, In掺杂对ZnO导电性能最好的结果, 计算结果和实验结果相一致. 关键词： (Al,Ga,In) 高掺ZnO 导电性能 第一性原理     

正火和回火处理过程中W/Fe/RAFM钢接头W/Fe界面组织和剪切性能的演化

对热等静压(HIP)扩散焊制备的W/Fe/RAFM钢接头进行了正火和回火处理,以恢复其中RAFM钢的组织和性能.采用电子探针微分析器(EPMA)和掠入射X射线衍射(GIXRD)对W/Fe界面组织的演化进行了分析,采用剪切测试和扫描电镜(SEM)对接头连接性能的演化进行了测试和分析.结果表明,正火处理后,RAFM钢中的C...     

Three-dimensional scanning force/tunneling spectroscopy at room temperature

We simultaneously measured the force and tunneling current in three-dimensional (3D) space on the Si(111)-(7 × 7) surface using scanning force/tunneling microscopy at room temperature. The observables, the frequency shift and the time-averaged tunneling current were converted to the physical quantities of interest, i.e. the interaction force and the instantaneous tunneling current. Using the same tip, the local density of states (LDOS) was mapped on the same surface area at constant height by measuring the time-averaged tunneling current as a function of the bias voltage at every lateral position. LDOS images at negative sample voltages indicate that the tip apex is covered with Si atoms, which is consistent with the Si-Si covalent bonding mechanism for AFM imaging. A measurement technique for 3D force/current mapping and LDOS imaging on the equivalent surface area using the same tip was thus demonstrated.     

Anelastic relaxation of Pr1/2Ca1/2MnO3 at low and medium frequencies in the 350–500 K range

In previous works (Jornadas SAM 2000; J. Magn. Magn. Mater. 226–230 (2001) 988) the low-frequency anelastic effects of two manganite perovskites of La_2/3Sr_1/3MnO₃ and La_2/3Ca_1/3MnO₃ were studied at 1 Hz and temperatures above those of the metal–insulator transition. An important internal friction peak (P1) appears at 414 and 419 K, respectively, with a modulus variation and no appreciable contribution to electrical resistivity. Another compound Pr_1/2Ca_1/2MnO₃ of the same family has been studied by anelastic mechanical spectroscopy in order to add new data which could elucidate the (P1) peak mechanism. The measurements were made in a sub-resonant forced pendulum (0.1–20 Hz) and in a vibrating reed equipment (kHz range). A stable (P1) peak has been detected at 410 K (1 Hz), with a corresponding modulus step. The appearance of this relaxation peak in the Pr_1/2Ca_1/2MnO₃ compound, and its high activation energy value, similar to the other compounds measured, indicates that the microscopic origin of this relaxation does not correspond to an oxygen jump (characteristic activation energy0.8–0.9 eV).     

Measurements of the spin correlation parameters Axx and Ayy for p-p scattering at 46.9 MeV

The A_xx and A_yy spin correlation coefficients of proton-proton scattering have been measured at E_lab = 46.9 MeV and θ_c.m. = 90° with the same experimental techniques already used at Saclay from 11 to 26 MeV and at Grenoble at 37.2 MeV. For A_xx the deviation from the predictions of the energy-dependent phase-shifts analysis of Livermore is significant (≈ 3.7 standard deviations) but not as large as for the 47.5 MeV Tokyo measurement. For A_yy the agreement is very good.     

Evaluating the function of phonetic perceptual phenomena within speech recognition: an examination of the perception of /d/-/t/ by adult cochlear implant users

This study examined whether cochlear implant users must perceive differences along phonetic continua in the same way as do normal hearing listeners (i.e., sharp identification functions, poor within-category sensitivity, high between-category sensitivity) in order to recognize speech accurately. Adult postlingually deafened cochlear implant users, who were heterogeneous in terms of their implants and processing strategies, were tested on two phonetic perception tasks using a synthetic /da/-/ta/ continuum (phoneme identification and discrimination) and two speech recognition tasks using natural recordings from ten talkers (open-set word recognition and forced-choice /d/-/t/ recognition). Cochlear implant users tended to have identification boundaries and sensitivity peaks at voice onset times (VOT) that were longer than found for normal-hearing individuals. Sensitivity peak locations were significantly correlated with individual differences in cochlear implant performance; individuals who had a /d/-/t/ sensitivity peak near normal-hearing peak locations were most accurate at recognizing natural recordings of words and syllables. However, speech recognition was not strongly related to identification boundary locations or to overall levels of discrimination performance. The results suggest that perceptual sensitivity affects speech recognition accuracy, but that many cochlear implant users are able to accurately recognize speech without having typical normal-hearing patterns of phonetic perception.     

Physical characterization of OMVPE-grown AlxGa1-xAs multi-layer films by means of non-destructive optical reflectometry

A novel Fourier transform technique which was developed by us previously, is applied in this work for non-destructive determination of thickness and refractive index steps of experimental multilayer heteroepitaxial structures. No time consuming least-squares curve-fits are required and theoretically there is no limit on the number of layers which can be analyzed. In order to demonstrate the above method experimentally, multilayer structures of Al_xGa_1-xAs containing up to five layers on GaAs substrates, were grown by organometallic vapour phase epitaxy (OMVPE). For calibration purposes, initial experiments involved the growth of Al_xGa_1-xAs single epilayers on GaAs substrates by the same technique. Layers were grown at five different compositions from x = 0.1 to x = 0.5. Both photoluminescence (at 12 K) and double-crystal X-ray diffraction measurements were undertaken on the single layers in order to establish the composition of the material. The results show excellent correspondence with each other. These results were also compared to secondary ion mass spectrometry data. The agreement between the optical technique developed by us and the other analytical methods was excellent.     

New experimental evidence of the structural modification in single crystal Bi2Sr2CaCu2Oy by X-ray diffraction observation

The variations of the high angle 00 peak-shape by means of X-ray l scans of the 00l fundamental reflections were investigated in detail for a highly oriented Bi₂Sr₂CaCu₂O_y (Bi2212) crystal with sufficiently small intrinsic mosaicity and the same crystal annealed in air at 250, 300, 400, 600, and 750°C for 20 h in consequence. For the first time, we observed a new additional reflection almost overlapped original 00l fundamental reflection at annealing temperature below 400°C by X-ray diffraction measurement, which shows that there coexisted two sets of lattice periodicity in the c-direction of the annealed crystal. The new additional reflection appeared at 250°C and disappeared at 400°C. Its intensity was increased at 300°C. The measurements of the AC susceptibility, c-axis parameter and full width at half maximum (FWHM) of the 00 peaks showed that the new additional reflection was associated with the oxygen diffusion in CuO₂ planes and the changes of strain field. The results provide the new experimental evidence that the structural distortion is more sensitive to the oxygen diffusion in CuO₂ planes than to that in Bi–O layers.     

The structural features of Cu1−xPbx liquid alloys

Structure of Cu_1−xPb_x (x=0, 0.025, 0.05, 0.075, 0.1, 0.125) molten alloys has been studied by means of X-ray diffraction method. Structural parameters obtained from structure factors (SF) and radial distribution functions were analyzed. Partial structure factors were calculated by using Reverse Monte-Carlo method. It is shown that tendency to preferred interaction of atoms of the same kind grows with increasing of lead content.     

基于激光诱导偏振光谱与激光诱导荧光技术的CH4/AIR火焰参数测量

建立了激光诱导偏振光谱（LIPS）和激光诱导荧光（LIF）联合的燃烧流场诊断系统,测量了CH4/AIR预混火焰中心不同高度处的OH荧光光谱和激光诱导偏振光谱,计算了OH的浓度及燃烧场温度分布。分析了燃烧炉表面对荧光收集效率的影响,并对两种技术的测量数据进行了分析比对,获得了火焰中心OH密度的分布规律。实验结果表明,联合LIPS和LIF两种技术测量CH4/AIR预混火焰参数是可行的,两种技术测量结果的一致性较好,OH浓度的相对偏差小于5%,温度的相对偏差小于8%。     

An investigation of the third formant of /a/ in prepubertal children

The third formant (F₃) of /a/ recorded from 209 healthy children (104 male and 105 female; ages 3 to 12 years) and 40 adults (20 men and 20 women) was studied by spectral analysis. Contrary to the traditional concept, the results of this study showed that there is significant difference in voice F₃ of /a/ between male and female children. This difference was found to begin to develop at the age of 3 years and became substantial by the age of 6 years. In this study, the value of F₃ obtained from female children at the age of 6 years was unexpectedly higher than that from the male children at the same age, which indicates that there is a difference in timbre in small children of both sexes.     

原子间相互作用势对中Al浓度Ni75AlxV25-x合金沉淀序列的影响

基于微观相场模型与反演算法,研究了中Al浓度及温度对Ni₇₅Al_xV_25-x合金沉淀过程的影响：在相同浓度下,L1₂与DO₂₂结构的第一近邻原子间相互作用势随温度升高呈线性增加,两者呈正比的关系;但在同一温度下,L1₂（DO₂₂）结构的第一近邻原子间相互作用势随Al原子浓度的增加而增加（减少）.同时将反演得出的原子作用势代入微观相场模拟中,探讨中Al浓度合金沉淀序列与原子作用势的关系,即当L1₂的第一近邻原子间相互作用势大于（小于）DO₂₂时,L1₂（DO₂₂）优先析出;当L1₂和DO₂₂的第一近邻原子间相互作用势相等时,两者同时析出.特别地,当Al原子的浓度等于0.0589时,发现L1₂和DO₂₂同时析出.利用微观相场法反演原子间相互作用势,为判断中Al浓度合金的沉淀序列增加了可信度.     

Optical and dosimetric properties of variously doped SrF2 crystals

Optical properties and irradiation effects of Nd³⁺-, Pr³⁺-, Tb³⁺- and Tm³⁺-doped SrF₂ crystals and their possible application to solid-state dosimetry were studied and compared to those induced in pure SrF₂ crystals. Optical absorption, thermoluminescence (TL), X- and light-induced luminescence (XL and PL) as well as optically stimulated luminescence and phototransferred TL (OSL and PTTL) were measured in the various samples. Special attention was given to effects of monochromatic vacuum ultraviolet (VUV) radiation. TL was excited in the pure and doped samples by X and β rays as well as by VUV radiation. TL peaks appeared after VUV irradiation at the same temperatures and with the same thermal activation energies as after X or β irradiation, indicating that they are due to the same processes. The VUV excitation spectra showed two maxima at about 145 and 130 nm. Comparison of the TL sensitivities of the various TL materials, showed that the sensitivity of SrF₂:Pr³⁺ was by more than an order of magnitude higher than that of the known LiF:Mg,Ti (TLD-100) phosphor. The sensitivity of pure and of the Nd, and Tb-doped SrF₂ were by a factor of 2–4 higher than that of the TLD-100 and that of SrF₂:Tm was slightly lower. The main emission bands of SrF₂:Pr³⁺ are located in a convenient spectral region between 460 and 640 nm, where most of the standard photomultipliers are sensitive. The dose dependence of the 460 K TL peak in SrF₂:Pr³⁺ is nearly linear in a wide range up to above 27 000 Gy.     

Nonlinear behavior of V–I curves at low temperatures in nanoparticles of La2/3B1/3MnO3 with B=Ca,Sr

We measure voltage–current curves at low temperature in La_2/3B_1/3MnO₃ samples (B=Ca,Sr). The powder oxides were prepared by different wet-chemical routes and low calcination temperatures were used for nanoparticles formation. We studied samples prepared by three different synthesis methods: gel-combustion, urea sol–gel and liquid-mix. Although the average particle size was almost the same for all the samples (30 nm), we found different behaviors in the V–I curves depending on the synthesis route. The obtained data are analyzed in the electronic tunneling picture.     

Research on Raman-scattering and Fabrication of Multilayer Thin Film with Different Structures and Components Based on Pt/Ti/Si3N4/SiO2/Si Substrate

选用三水醋酸铅、乙酰基丙酮酸锆、四异丙氧基钛、乙酰丙酮作初始材料,用同样的方法分别制备了锆钛酸铅(PZT)和钛酸铅(PT)两种固体前驱物. 采用改良型的溶胶-凝胶工艺技术,分别在不同的Pt-Ti-Si₃N₄-SiO₂-Si基底上,按照不同的组合方式,制备了三种多层薄膜：PZT、PT/PZT-PZT/PT、PT/PZT/-/PZT/PT. 较详细地讨论了薄膜制备的工艺技术,发现当凝胶通过烧结和干燥后变成固态物质时,薄膜内部存在着较大的残余应力,当薄膜在600 ºC下退火时其内部残余应力可以被减小. 通过拉曼     

快速热退火对Co/Si0.85Geo.15肖特基结电学特性的影响

用离子束溅射技术分别在SiO2和单晶Si衬底上沉积了Si1-xGex和Co薄膜.在不同温度下,对Co/Si1-xGex肖特基结进行快速热退火处理(RTA),对处理后的样品进行了表面形貌和电学测量.发现退火温度升高,样品表面粗糙度变大,理想因子也变大,但对肖特基势垒高度(SBH)的影响很小.分析认为,随着退火温度的升高,...     

Effect of temperature on the luminescence processes of SrAl2O4:Eu

The UV excited and persistent luminescence properties as well as thermoluminescence (TL) of Eu²⁺ doped strontium aluminates, SrAl₂O₄:Eu²⁺ were studied at different temperatures. Two luminescence bands peaking at 445 and 520 nm were observed at 20 K but only the latter at 295 K. Both Sr-sites in the lattice are thus occupied by Eu²⁺ but at room temperature efficient energy transfer occurs between the two sites. The UV excited and persistent luminescence spectra were similar at 295 K but the excitation spectra were different. Thus the luminescent centre is the same in both phenomena but excitation processes are different. Two TL peaks were observed between 50 and 250 °C in the glow curve. Multiple traps were, however, observed by preheating and initial rise methods. With longer delay times only the high temperature TL peak was observed. The persistent luminescence is mainly due to slow fading of the low temperature TL peak but the step-wise feeding process from high temperature traps is also probable.     

7Li2分子2 3Σ+g激发态的解析势能函数、谐振频率及振动能级

使用Gaussian03程序包中的“对称性匹配簇/对称性匹配簇-组态相互作用”方法, 利用多个基组对⁷Li₂分子2³Σ⁺_g态的平衡几何进行了优化计算. 同时, 在优化得到的平衡位置附近、于同一条件下通过精细的单点能扫描, 获得了相应基组下的平衡核间距. 发现两者的结果不一致，对不一致的原因进行了解释. 分析表明，由单点能扫描得到的平衡核间距应更为合理. 同时也得出了6-311++G(3df,3pd)，6-311++G(2df,2pd) 及6-311++G(2df,pd)基组均为较优基组的结论.于2.5a₀—37a₀的范围内利用6-311++G(3df,3pd)基组进行单点能扫描并使用最小二乘法拟合出了该态的解析势能函数. 利用解析势能函数的物理意义并结合Rydberg-Klein-Rees方法, 计算出了其相应的谐振频率, 进而计算了其他光谱常数. 为便于比较和分析, 对基态也进行了相应的计算.利用得到的解析势能函数, 对2³Σ⁺_g态的振动能级及振动经典转折点也进行了计算. 关键词： 势能函数 谐振频率 振动能级 Murrell-Sorbie函数     

Electrical characteristics of p-Si/TiO2/Al and p-Si/TiO2-Zr/Al Schottky devices

Electrical devices involve different types of diode in prospective electronics is of great importance. In this study, p-type Si surface was covered with thin film of TiO₂ dispersion in H₂O to construct p-Si/TiO₂/Al Schottky barrier diode (D1) and the other one with TiO₂ dispersion doped with zirconium to construct p-Si/TiO₂-Zr/Al diode (D2) by drop-casting method in the same conditions. Electrical properties of as-prepared diodes and effect of zirconium as a dopant were investigated. Current–voltage (I–V) characteristics of these devices were measured at ambient conditions. Some parameters including ideality factor (n), barrier height (Φ_B0), series resistance (Rs) and interface state density (Nss) were calculated from I–V behaviours of diodes. Structural comparisons were based on SEM and EDX measurements. Experimental results indicated that electrical parameters of p-Si/TiO₂/Al Schottky device were influenced by the zirconium dopant in TiO₂.     

Strain and defect densities in Si/Si1-xGex heterostructures investigated by ion scattering and X-ray diffraction

MBE-grown Si/Si_1-xGe_x heterostructures on (100) Si have been characterized by Rutherford backscattering spectroscopy (RBS), ion channeling and X-ray diffraction to investigate defect densities and tetragonal lattice distortion. Critical layer thickness and relaxation of strain by formation of misfit dislocations are strongly dependent on the growth temperature. A Si_0.67Ge_0.33 layer with a thickness of 2000 Å is found to be still fully strained at a growth temperature of 450°C, whereas the same layer grown at 550°C shows considerable strain relaxation by dislocations. To obtain better depth resolution than with conventional RBS, medium energy ion scattering (MEIS) experiments have been performed on Si/Ge superlattices with layer thicknesses of 10–40 Å. A position-sensitive toroidal electrostatic analyser was employed to detect the backscattered ions simultaneously over an angular range of 30° with an energy resolution of 1 keV FWHM for 250 keV He ions, corresponding to a depth resolution of about 10 Å.