非金属元素(F,S, Se,Te)掺杂对ZnO/graphene肖特基界面电荷及肖特基调控的理论研究

本文基于第一性原理系统研究了非金属元素F、S、Se、Te掺杂对ZnO/graphene异质结界面相互作用及其电子结构的影响。结果表明,ZnO/graphene异质结层间以范德瓦耳斯力结合形成了稳定的异质结,并且形成了n型肖特基势垒。差分电荷密度图表明graphene层的电子向ZnO层转移,使得graphene层表面带正电,ZnO层表面带负电,在界面处形成了内建电场。当掺入F原子时,异质结呈现欧姆接触;当掺入S、Se、Te原子时,异质结肖特基的接触类型均由n型转变为p型,且有效降低了肖特基势垒的高度,特别是Te原子掺入后,p型肖特基势垒高度降低至0.48 eV,提升了电子的注入效率。本文的研究结果将对相关的场效应晶体管的设计和制造提供一定的参考。     

宽温区内ZnO纳米线的CVD可控生长方法研究

以Zn粉为材料,采用CVD法在宽温区内可控生长ZnO纳米线.利用SEM对产物进行了微观分析,考察了反应温度与升温时间对ZnO纳米线形貌的影响.用ZnO纳米线制成光电导型紫外光探测器,并测试了该器件的性能,考察了所得ZnO纳米线的光电特性.研究工作表明:用CVD法制备ZnO纳米线时的反应温度不限于某一个特定值,而是常压下在419.5℃以上的温区内均可进行,该宽温区ZnO纳米线CVD合成法的关键在于优化和匹配生长温度与加热时间两个参数.对紫外光探测器的性能测试结果表明,ZnO纳米线具有良好的紫外光电响应特性.     

ZnO过渡层对Au/Hg3In2Te6肖特基接触特性的影响研究

利用脉冲激光沉积技术在Hg3In2Te6晶体表面制备ZnO过渡层,并对ZnO过渡层进行了表征.结合X射线光电子能谱深度剖析对ZnO/Hg3In2Te6界面元素的化合态进行研究,并通过半导体参数分析仪对Au/ZnO/Hg3In2Te6肖特基接触电学特性进行测试.研究结果表明,采用本实验条件可在Hg3In2Te6晶体表面获得结晶度高、表面粗糙度低,且沿(002)晶面择优生长的ZnO过渡层.同时,ZnO过渡层的引入使Au/Hg3In2Te6肖特基接触的漏电流降低一个数量级,势垒高度提高6.5;.这种现象可能是由于ZnO/Hg3In2Te6界面存在的互扩散使O原子占据了Hg原子空位,从而降低耗尽层中能级缺陷而引起.     

TiN、Ti插入层对ITO与GaN欧姆接触性能影响的研究

透明半导体铟锡氧化物(ITO)作为电极能够降低光导开关电极边缘电流集聚效应和提高脉冲激光的利用率。本文通过在ITO与GaN界面之间分别插入10 nm的Ti与TiN,研究Ti、TiN对ITO与GaN欧姆接触性能的影响。I-V测试结果表明，随着退火温度升高，插入TiN的光导开关一直保持欧姆接触特性，而插入Ti的光导开关由欧姆接触转变为肖特基接触。通过TEM测试发现，当以Ti作为插入层时，ITO通过插入层向插入层与GaN的界面扩散，在接触界面形成Ti的氧化物及空洞。透射光谱显示，不同退火温度下插入Ti层的透过率均低于38.3%,而以TiN作为插入层时透过率为38.8%～55.0%。因此含有TiN的光导开关具有更稳定的电学性能和更高的透过率，这为GaN光导开关在高温高功率领域的应用提供了参考。     

In2O3(ZnO)m超晶格纳米线的制备和性质

通过热蒸发ZnO和In粉末用化学气相沉积的方法合成了一维In2O3( ZnO)m超晶格纳米线,利用场发射扫描电子显微镜、透射电子显微镜对它们的结构和成分进行了表征.结果表明,In2O3 (ZnO)m超晶格纳米线是In-O层和In/Zn-O层沿着([1010])方向交替堆叠而成的.讨论了In2O3( ZnO)m超晶格纳米线形成的机制和光致发光特性.     

Ti/Au复合电极在CdZnTe (111)B面上的表面结构与性能研究

近年来,碲锌镉(CdZnTe)材料制成的探测器已经成为研究热点,适当的接触特性已经成为提高探测器性能的关键问题。本文主要探讨了弱n型CdZnTe晶体(111)B面Ti/Au复合电极的欧姆接触性能,采用两步沉积工艺制备Ti/Au复合电极。通过AFM、FIB/TEM、XPS、I-V等测试方法研究了电极与CdZnTe的界面结构、化学成分和电学性能。结果表明,Ti过渡层的引入可以减轻和改善晶片抛光过程中形成的损伤层,增加了电极与晶体之间的欧姆特性。相比于CdZnTe (111)B面上的Cr/Au复合电极,Ti/Au复合电极的粗糙度更低、接触界面更平整,晶格失配层厚度也更低。Ti中间层促进了金/半界面的互扩散现象, 有利于增加黏附性和降低肖特基势垒,并且在Ti/Au复合电极与CdZnTe接触的界面上没有观察到氧元素的存在。I-V测试表明Ti/Au复合电极具有更加良好的欧姆特性和更低的肖特基势垒。     

n型GaAs欧姆接触电极制备工艺

目前,n型GaAs欧姆接触电极的制备方法以蒸镀法为主,然而该方法具有设备价格高、浪费电极材料的缺点。本文采用离子溅射法制备了n型GaAs的欧姆接触电极AuGeNi/Au,通过优化制备过程,可获得表面光滑平整、成分均匀无偏析的电极层。400 ℃氩气气氛下退火处理后,电极与GaAs之间由肖特基接触变为欧姆接触,极间电阻降为原来的1/20。退火温度在400~500 ℃时可得到很小的比接触电阻率(10^-6 Ω·cm²),有利于半导体器件工作稳定性的提高,降低能耗。退火温度低于400 ℃或高于500 ℃后比接触电阻率都较大,这分别与欧姆接触未形成以及Au-Ge合金的“球聚”有关。该制备方法和过程的优点为:设备成本低、流程简便、节省电极材料,具有良好的经济效益和实用价值,适合科研实验室使用。     

In掺杂量对ZnO薄膜微结构和光学性质的影响

采用溶胶-凝胶法分别制备未掺杂和In掺杂ZnO薄膜,用X射线衍射仪、扫描电镜和紫外可见分光光度计测试分析薄膜的微结构、表面形貌和光学性质.结果表明:In掺杂ZnO薄膜仍为六角纤锌矿结构,但In的掺入抑制ZnO薄膜的结晶,使得薄膜的结晶度降低.In掺杂ZnO薄膜表面呈网络状结构,随着In掺杂量的增加,表面起伏程度减小,空隙减少,表面平整,致密度提高.In掺杂ZnO薄膜的光学带宽Eg值均小于未掺杂ZnO薄膜,且随In掺杂量的增加先增大后减小,并用Burstein-Moss效应和缺陷浓度变化对光学带宽变化进行了解释.     

电极材料对碘化汞(α-HgI2)晶体Ⅰ-Ⅴ特性的影响

利用Aligent4155型CVIV测试仪分别对Au/HgI2、AuCl3(Au)/HgI2、C(石墨)/HgI2接触的,Ⅰ-Ⅴ特性进行了测定,对比研究了不同电极材料与α-HgI2晶体所形成的接触特性,并利用热电子发射理论对实验结果进行了分析.结果表明,AuCl3和C均能与HgI2形成良好的欧姆接触,其欧姆特性系数分别为1.0291和0.9380,接触电阻分别为3.0×108Ω和1.0×108Ω;而溅射Au与Hg2接触的欧姆特性较差,欧姆系数约为0.8341,接触电阻为3.5×109Ω.这说明AuCl3,在HgI2表面形成了重掺杂,产生显著的隧道电流,从而形成了较理想的欧姆接触.C(石墨)化学性能稳定,电极制备工艺没有影响晶体表面质量,因此C(石墨)/HgI2接触电阻最小,并具有良好的欧姆特性.而溅射Au过程中由于温度升高引起晶体表面HgI2分子的挥发,造成晶体表面质量下降,导致Au/HgI2接触的欧姆特性变差.     

Pt/Hg3In2Te6接触的温度特性研究

运用直流平面磁控溅射技术在Hg3In2Te6单晶表面制备Pt金属电极,形成Pt/Hg3In2Te6接触,采用I-V测试仪在120~260 K温度范围内对其I-V特性进行测量.根据热电子发射模型,计算得到了Pt/Hg3In2Te6的肖特基势垒高度.结果表明:Pt/Hg3In2Te6形成具有整流特性的肖特基接触,肖特基势垒高度为0.46 eV.在120~260 K温度范围内,理想因子随温度增大逐渐从2.93减小至1.42.将Hg3In2Te6单晶制成红外探测器,发现了响应光谱在波长1.55 μm处峰值达到最大,在室温下峰值探测率D* 达到了1011 cm·Hz1/2·W-1.     

Relationship of Morphological Types of Dynamic Forms of Crystals

Crystallography Reports - The relationship of morphological spectra (sets of data on the morphological types of real polyhedral crystals and their probabilities under current physicochemical...     

Development of Pauling's concepts of geometric characteristics of atoms

The evolution of the geometric characteristics introduced by Pauling and their dependence on the specific features of the structure and chemical bonds have been considered. The values of the covalent and van der Waals radii are given as well as their relationships and mutual transitions.     

A review of measurement of thermophysical properties of silicon melt

Measurements of thermophysical properties of Si melt and supplementary study of X-ray scattering/diffraction by the authors' group were reviewed. The values obtained differed variously from those of literature. Density was 2–3% larger, surface tension 20–30% smaller, viscosity up to 40% larger, electrical conductivity 8% smaller, spectral emissivity more or less in good agreement with literature values, and thermal diffusivity a few percent larger. An anomalous density jump was found near the melting point. Surface tension and viscosity also showed anomaly. A strange time-dependent change of density was observed over 3 h after melting. X-ray analyses suggested a slight change in local atom ordering, but showed no sign of cluster formation. An addition of 0.1 at% gallium caused the density jump to disappear, while that of boron caused no change. An EXAFS study of the former melt indicated a strong interaction between Ga and Si atoms as if molecules of GaSi₃ existed. The implications of the measured properties are a possibility of soft-turbulence in an Si melt in a relatively large crucible, a more complicated manner of intake of oxygen depleted molten Si from the free surface region to underneath the growing crystal, and a relaxation of the melt after melting arising from trapped gas species.     

Generation of crystal structures of heteromolecular compounds by the method of discrete modeling of packings

Within the method of discrete modeling of packings, an algorithm of generation of possible crystal structures of heteromolecular compounds containing two or three molecules in the primitive unit cell, one of which has an arbitrary shape and the other (two others) has a shape close to spherical, is proposed. On the basis of this algorithm, a software package for personal computers is developed. This package has been approved for a number of compounds, investigated previously by X-ray diffraction analysis. The results of generation of structures of five compounds—four organic salts (with one or two spherical anions) and one solvate—are represented.     

Investigation of the Mechanism of Influence of Stress Corrosion on the Development of Macroplastic Instabilities of Aluminum–Magnesium Alloy

Crystallography Reports - Macroscopic jumps of plastic deformation (few percent in amplitude) on creep curves of aluminum–magnesium alloy, caused by a local effect of concentrated solution of...     

Comparative analysis of two methods of calculation of the orientation of domain walls in ferroelastics

Two types of domain-wall equations are analyzed: the equations derived by the Sapriel method and the equations obtained by interface matching of the thermal-expansion tensor. It is shown that, for W-type domain walls, these methods yield the same equations. For W′-type domain walls, the equations obtained by different methods coincide for proper ferroelastics and differ for improper ferroelastics.     

Dependence of the parameters of equations of viscous flow on chemical composition of silicate melts

The temperature dependence of viscosity of silicate melts is discussed in the framework of the Avramov–Milchev (AM) equation. The composition is described by means of two parameters: the molar fraction, x, and the “lubricant fraction”, l. The molar fraction is the sum of the molar parts x_i of all oxides dissolved in SiO₂, the molar fraction of the latter being 1 ? x. It is shown that, with sufficient precision, two of the parameters of the AM equation can be presented as unique functions of the molar fraction. On the other hand, x is not sufficient to determine properly the reference temperature T_r , at which viscosity is η_r = 10¹³ [dPa.s]. Therefore, additional parameter, “lubricant fraction” l, is introduced. For each of the components, l_i is a product of molar part x_i and a specific dimensionless coefficient 0 ≤ k_i ≤ 1 accounting for the specific contribution of this component to the increased mobility of the system. It is demonstrated that, for l > 0, the reference temperature is related to the “lubricant fraction” l through the reference temperature T_r,SiO2 of pure SiO₂.     

Mechanism of thermal expansion of structural modifications of zinc pyrovanadate

Crystal chemical characteristics of the α and β modifications of Zn₂V₂O₇ are calculated based on in situ high-temperature X-ray measurements. The expansion of the structure is found to be strongly anisotropic up to the negative volumetric thermal expansion of the α-Zn₂V₂O₇ unit cell in the temperature range of 300–600°С, α _V =–17.94 × 10^–6 1/K. The transformations of the “hard” and “soft” sublattices with an increase temperature and at the phase transition are considered in detail. It is shown that the negative volumetric thermal expansion of α-Zn₂V₂O₇ is due to the degeneracy of the zigzag-like shape of zinc–oxygen columns at constant distances between their vertices.     

A SAXS study of kinetics of aggregation of silica sols

SAXS in situ experiments on the evolution of TMOS solutions during hydrolysis and polycondensation lead to power laws with scaling exponents ≈ 2. It is suggested that this could be the result of the polydispersity of the samples and that only an apparent fractal dimension can be obtained in this way. Kinetic studies tend to indicate that agglomeration in the sol is the result of a diffusion-controlled process.