双掺杂单畴硫酸三甘氨酸热释电晶体ATGSAs

硫酸三甘氨酸晶体[(NH2CH2COOH)3·H2SO4,简称TGS]是典型的有序-无序型二级相变铁电体,于1956年发现.该晶体具有较高的热释电系数、低的介电常数、高的热释电品质因数,并且易于从水溶液中培育出优质单晶,因而它是制作室温下应用的红外探测器和摄象管的最重要材料.但是,TGS晶体也存在退极化和居里温度Tc偏低等缺点.为了克服这些缺点,人们进行了广泛而深入的研究,培育出了一些有用的改性TGS晶体[1-6],如用氚取代TGS中的活泼氢生长出DTGS晶体,其居里温度Tc可达 60 左右;用L-正丙氨酸部分地取代甘氨酸生长出的ATGS晶体,可防止退极…     

Cd1-x ZnxTe晶体退火条件的选择及Zn压对退火晶体质量的影响

采用传统Bridgman方法和加入accelerated crucible rotation technique的Bridgman(缩写为ACRT-B)方法生长的Cd1-xZnxTe(x=0.04)晶体中存在有点缺陷、位错、杂质和Te沉淀等缺陷.为了减少甚至消除这些缺陷,必须将生长后的CdZnTe晶片在Cd气氛下退火.从Cd-Te和Cd0.96Zn0.04Te的P-T相图出发,详细讨论了CdZnTe晶体的气-固平衡条件,并以此为依据选择退火条件,对ACRT-B法生长的Cd0.96Zn0.04Te晶体进行了退火实验研究.实验结果表明,气氛中的Zn压在一定程度内高于平衡压力有利于晶体中多余Te向晶体表面扩散,即有利于消除Te沉淀.但过高的Zn压会使晶体表面成分偏离原始的化学配比.此时,晶体表面与气氛强烈的原子交换,将造成严重的表面损伤,形成一层结晶质量很差的表面层.同时,Zn原子向晶内的扩散,抑制了退火过程中晶内杂质向晶体表面的扩散.因此,在较低的Zn压下退火(但仍处于气-固平衡范围内),能排除晶内杂质.通过仔细研究不同条件下退火后晶片的结晶质量和断面成分分布,可以认为CdZnTe晶体的退火可分为去沉淀相退火、去杂质退火和均匀化退火几种,最佳的退火工艺应是多步骤、多阶段的组合退火工艺.     

生长用于发光二极管的GaP晶体的一种新方法

为生长特别适于制备发光二极管用的GaP化合物半导体晶体,发展了一种所谓合成熔质扩散法(SSD)。长成的晶体呈园柱状,由相当大的颗粒组成。生长速率受磷在镓熔液的扩散过程限制。从生长速率可以求得扩散系数,在1100℃是8×10~(-5)cm~2·S~(-1),而激活能是0.65ev。蹄或硫施主杂质从3×10~(17)到4×10~(18)cm~(-3)可重复地掺入,在1150℃的分凝系数分别是0.038和1.0。生长晶体的质量特别好,用改进了的腐蚀液腐蚀晶体几乎看不到碟形坑。仅用单层单次液相外延过程,再通过气相扩散锌就可重复地制出高效率的红色发光结。还研制了一种双层单次外延法,叫作“液相外延生长结”法,并用来制成高效率的绿色LED。用SSD片制备的LED的效率,红光高达7.4％,而绿光高达0.15％。     

金属有机物化学气相沉积同质外延GaN薄膜表面形貌的改善

为了获得高质量的GaN薄膜材料,研究了金属有机物气相沉积系统中GaN插入层对GaN衬底同质外延层表面宏观缺陷和晶体质量的影响.研究发现,插入层生长温度是影响GaN同质外延膜表面形貌和晶体质量的关键因素.由于生长模式与插入层生长温度相关,随着插入层生长温度的降低,外延膜生长模式由准台阶流模式转变为层状模式,GaN同质外延膜表面丘壑状宏观缺陷逐渐减少,但微观位错密度逐渐增大.通过对插入层温度和厚度的优化,进一步调控外延层的生长模式,最终有效降低了外延层表面的宏观缺陷,获得了表面原子级光滑平整、位错密度极低的GaN同质外延膜,其X射线衍射摇摆曲线(002),(102)晶面半峰宽分别为125arcsec和85arcsec,表面粗糙度均方根大小为0.23nm.     

Cu在Pt表面扩散激活能和扩散系数的ASED-MO计算

本文应用ASED-MO方法,计算研究了Cu在Pt(111),(100),(110)表面的扩散问题。Cu原子在上述三个表面上的扩散激活能的计算结果分别为0.167eV,0.162eV和0.668eV;300K时的扩散系数分别为3.04×10¹⁰m²/s,3.69×10^-10m²/s和2.42×10^-18m²/s。计算结果表明,Cu原子在Pt(111)和(100)面上,扩散激活能很小,极易迁移,而在(110)面上,激活能较大,扩散系数甚小。     

名词浅释

知识与进展晶体对称轴和对称面 晶体是由按一定对称性排列成点阵的原子所组成.如果一个晶体结构对某个轴(或面)而言,按一定对称操作(如旋转或反射),便能使该晶体结构自身完全重合,则此轴为晶体的对称轴,相应的面为对称面.低密勒指数面、低标次轴 给出在一个晶面上的三个不共线的原子的坐标,就决定了该晶面的位置和取向,通常用密勒指数指明面的取向,因而把晶面记为(h,k,l),密勒指数低的面,也就是h,k,l值小的面,如立方晶体表面为(100),(010),(001),(100),(010)和(001),属于低密勒指数面。 晶体旋转对称轴可以分为一重、二重、三重、四重和六重…     

TGS类铁电晶体的红外反射光谱研究

本文研究了室温下TGS类铁电晶体(包括TGS、DTGS和ATGSP晶体)的红外反射光谱,并将观察到的谱线按照频率和振动模式列表和分类.在ATGSP的红外光谱中发现存在PO_4~(3-)离子的930cm~(-1)谱线,说明磷酸取代硫酸进入晶相.     

H在Ni表面的扩散性质及表面缺陷的影响-嵌入原子法(EAM)计算研究

本文用原子集团模型和嵌入原子方法,计算研究了H在Ni(100),(110)和(111)表面上的扩散特性,其扩散激活能分别是0.152eV;0.343eV和0.142eV。Ni(100)面上的吸附Ni原子和Ni原子空位,分别是在其表面上扩散的H原子的一种陷阱和位垒;Ni(100)面上的台阶,将使通过此台阶的H原子的扩散势垒增高,激活能增大,且引起扩散的各向异性。     

聚对苯二甲酸乙二醇酯-双酚A型聚碳酸酯共混体系中聚合物伸直链晶体的形态分析

利用扫描电子显微镜(SEM)和原子力显微镜(AFM)等表征手段,研究了聚对苯二甲酸乙二醇酯-双酚A型聚碳酸酯(PET-PC)共混物的高压结晶样品。研究发现共混体系中存在具备不同形态特征的伸直链晶体,其中包括楔形晶体、弯曲晶体以及楔形弯曲晶体。通过对这些晶体的形态观察,揭示出体系中大尺寸聚酯伸直链单晶体的增厚生长首先要经历形成折叠链晶核的成核阶段,然后才是在酯交换反应和链滑移扩散两种机制共同作用下的等温增厚的链伸展过程。有助于深入理解PET-PC共混物中伸直链单晶体生长过程的本质因素,以便在类似聚合物体系中合成大尺寸的同类晶体。     

铝阳极氧化过程中氢对氧迁移影响的理论研究

为了研究铝阳极氧化过程中离子在阳极反应中的行为,利用第一性原理研究了氢原子对氧原子在铝(111)表面的吸附迁移行为的影响及氧原子向铝晶体内部的渗透行为的影响.结果表明,由于“抽象”(abstract)效应,氢原子的存在大大降低了氧进入铝晶体的能垒.氢原子的引入也影响了氧原子在铝晶体中的扩散,这可以显著降低氧原子在四面体间隙位置之间迁移的活化能(从1.23eV到0.35eV).这些结论助于我们了解阳极氧化过程和离子迁移过程.     

从昇华的NaCl蒸汽生长单晶体

半个世纪以来,从NaCl的蒸汽生长其单晶体的企图并没有得到正面的结果,解理面上的取向性结晶也尚未有超过数个分子层者。对于从溶液结晶出来时NaCl晶面发展的顺序,或者相对的重要性的研究已有肯定的结果。关于晶核或生长驼峰发端的位置从几率上看应在晶面何处的时尚理论未能从NaCl自溶液中结晶出来的实验加以证实或否定。为探索从蒸汽相生长NaCl单晶体的规律,本实验初步获得较大尺度的单晶体,并同时使取向性晶面上结晶达到1毫米以上的厚度。升华蒸汽来源于高纯度的从熔融体结晶出来的单晶体,并使母晶和结晶基面保持在近于NaC     

The role of surface and volume diffusion in the growth of TGS single crystals

Msasurements of the growth rates of {110} and {001} faces of triglycinsulphate (TGS) as functions of supersaturation of the solution are analyzed on the basis of the surface-diffusion model of Burton, Cabrera and Frank. Approximate values of the free activation energies of dehydratation, surface diffusion and incorporation of TGS molecules into the crystal lattice are determined. It is shown that surface diffusion is responsible for the low growth rate of {001} faces; in the case of {110} faces, this mechanism is less important at higher values of supersaturation than volume diffusion. This fact is discussed on the basis of results obtained from measurements of the influence of hydrodynamical conditions on the growth of the prismatic {110} faces of TGS crystals.List of symbols T temperature - k Boltzmann constant - KT/h atomic frequency factor - a shortest distance between growth units in the crystal - x ₀ distance between nearest kinks in a step on the surface - x _s mean quadratic displacement of growth units on the surface - volume of the growth unit in the crystal - unit free energy of the growth unit in the crystal - N ₀ number of growth units in the solution per unit volume - N _s0 number ot growth units in the adsorbed layer per unit volume - thickness of the volume-diffusion layer - thickness of the adsorbed layer of growth units on the crystal surface - d characteristic length in semi-empirical formulas for determination of - c ₀ retardation factor in the case ofx _s x ₀ - retardation factor which depends on the rate of penetration of growth units into kinks in the crystal surface, and expresses deviations from the ideal BCF function - number of active growth spirals - G _h activation free energy of dehydratation - G _a activation free energy of desorption - G _s activation free energy of surface diffusion - G _k activation free energy of penetration of growth units into kinks in the crystal surface - D _v volume-diffusion coefficient - D _s surface-diffusion coefficient - Re Reynolds number - Sc Schmidt number - Gr Grashoff number - C first constant in the BCF function - ₁ second constant in the BCF function - mean distance between equilibrium positions of growth units in the adsorbed layer     

Growth of 4-(dimethylamino) benzaldehyde doped triglycine sulphate single crystals and its characterization

Single crystals of triglycine sulphate (TGS) doped with 1 mol% of 4-(dimethylamino) benzaldehyde (DB) have been grown from aqueous solution at ambient temperature by slow evaporation technique. The effect of dopant on the crystal growth and dielectric, pyroelectric and mechanical properties of TGS crystal have been investigated. X-ray powder diffraction pattern for pure and doped TGS was collected to determine the lattice parameters. FTIR spectra were employed to confirm the presence of 4-(dimethylamino) benzaldehyde in TGS crystal, qualitatively. The dielectric permittivity has been studied as a function of temperature by cooling the sample at a rate of 1 °C/min. An increase in the Curie temperature T_c=51 °C (for pure TGS, T_c=48.5 °C) and decrease in maximum permittivity has been observed for doped TGS when compared to pure TGS crystal. Pyroelectric studies on doped TGS were carried out to determine pyroelectric coefficient. The Vickers's hardness of the doped TGS crystals along (0 1 0) face is higher than that of pure TGS crystal for the same face. Domain patterns on b-cut plates were observed using scanning electron microscope. The low dielectric constant, higher pyroelectric coefficient and higher value of hardness suggest that doped TGS crystals could be a potential material for IR detectors.     

Application of Scanning Capacitance Force Microscopy for Detecting Impurity Phases in Ferroelectric Triglycine Sulfate

Technical Physics - An inhomogeneous ferroelectric (triglycine-sulfate (TGS) single crystal with a TGS–TGS+Cr periodic growth impurity structure) has been investigated by scanning capacitance...     

微重力条件下晶体生长过程的实时观察

从材料科学的微重力效应和晶体生长基本过程等两个方面出发，阐明了一种新的生长技术（晶体生长过程的光学实时观察法）的必要性，并介绍了空间高温实时观察装置的基本特性．在我国的科学技术探测卫星上，该装置进行了搭载实验，并首次清楚地观察到了空间溶质扩散效应和高温溶液的表面张力对流图像．     

关于硫化镉单晶的生长速率

本文分析了在不同温度下生长的硫化镉单晶的形状,把它归结为三个主要晶面的生长速率与温度的关系,并用晶面的平衡结构理论给以解释。     

A phase-field/Monte-Carlo model describing organic crystal growth from solution

In this paper work we present a phase-field/Monte-Carlo hybrid algorithm for the simulation of solutal growth of organic crystals. The algorithm is subsequently used for an investigation of diffusion effects on the growth mechanisms. This method combines a two-scale phase-field model of the liquid phase epitaxial growth and a Monte-Carlo algorithm of the 2D nucleation and thus is faster than previous purely Monte Carlo simulations of crystal growth. The inclusion of supersaturation and diffusion in the method allows the study of crystal growth under various growth conditions. Parameters used in the hybrid algorithm are bound to the energetic parameters of crystal faces, which can be estimated from a detailed study of the actual crystal structure based on a connected nets analysis, which allows the prediction of the shape and morphology of real crystals. The study of the diffusion effect is carried out based on an example of a hydroquinone crystal, which grows from the water solution at various supersaturations. The dependencies of the growth rate and the nucleation rate on the supersaturation indicate the change of the growth mechanism from spiral growth to 2D nucleation. The difference in the growth rate for various faces is in agreement with the crystal morphologies derived from the attachment energy method and observed experimentally. The main result of the simulation is the evaluation of engineering limits for choosing appropriate external process conditions.     

Crystal growth and dielectric, mechanical, electrical and ferroelectric characterization of n-bromo succinimide doped triglycine sulphate crystals

Single crystals of triglycine sulphate (TGS) doped with n-bromo succinimide (NBS) were grown at ambient temperature by the slow evaporation technique. An aqueous solution containing 1-20 mol% of n-bromo succinimide as dopant was used for the growth of NBSTGS crystals. The incorporation of NBS in TGS crystals has been qualitatively confirmed by FTIR spectral data. The effect of the dopant on morphology and crystal properties was investigated. The cell parameters of the doped crystal were determined by the powder X-ray diffraction technique. The dielectric constant of NBS doped TGS crystal was calculated along the ferroelectric direction over the temperature range of 30-60 °C. The dielectric constant of NBSTGS crystals decrease with the increase in NBS concentration and considerable shift in the phase transition temperature (T_C) towards the higher temperature observed. Pyroelectric studies on doped TGS were carried out to determine the pyroelectric coefficient. The emergence of internal bias field due to doping was studied by collecting P-E hysteresis data. Temperature dependence of DC conductivity of the doped crystals was studied and gradual increase in the conductivity with the increase of dopant concentration was observed. The activation energy (ΔE) calculated was found to be lower in both the ferroelectric and the paraelectric phases for doped crystals compared to that of pure TGS. The micro-hardness studies were carried out at room temperature on thin plates cut perpendicular to the b-axis. Less doped TGS crystals show higher hardness values compared to pure TGS. Piezoelectric measurements were also carried out on 010 plates of doped TGS crystals at room temperature.     

Stability of Crystal Growth Face and Dissolution Face in Crystallization from Solution under Microgravity

The stability of the shapes of crystal growth face and dissolution face in a two-dimensional mathematical model of crystal growth from solution under microgravity is studied.It is proved that the stable shapes of crystal growth face and dissolution face do exist,which are suitably shaped curves with their upper parts inclined backward properly.The stable shapes of crystal growth faces and dissolution faces are calculated for various values of parameters,Ra,Pr and Sc.It is shown that the stronger the convection relative to the diffusion in solution is,the more backward the upper parts of the stable crystal growth face and dissolution face are inclined.The orientation and the shape of dissolution face hardly affect the stable shape of crystal growth face and vice versa.     

AFM study of the microwave effect on hydrogen-containing ferroelectric triglycine sulfate

Nanoscale supramolecular structures and their transformations under exposure to microwaves in hydrogen-containing ferroelectric, i.e., triglycine sulfate (TGS), were studied by atomic-force microscopy. It was shown that prolonged (2–5 h) irradiation of TGS crystal at a frequency of 40 GHz results in changes in the cleavage surface, which can be interpreted as radiation-induced “annealing” of the crystal with simultaneous generation of new defects. An exposure mechanism based on the effects of commensurability of the time of flight of quasifree dipole particles (protons) with the high-frequency field’s period is proposed.