KTiOPO_4晶体理论习性

为了解决复杂结构离子晶体接触能E_(att)计算上的困难,本文给出了按PBC(periodic bondchain)理论导出的公式,并将其编成计算机程序。应用PBC理论,从KTiOPO_4晶体结构,对其界面进行分类表明,{100},{011}为F单形;{210},{101}和{010}为较重要的S单形;而{001}单形的晶面,属K面。根据以上公式及程序对各单形E_(att)进行了计算,得出了各晶面的相对重要性,其结果与观测结果符合得很好。 文中提出的公式及程序,能直接用于计算属于立方、四方、正交晶系的离子晶体E_(att)。     

Si,GaAs和LiNbO3单晶的堵塞效应

我们利用背散射方法得到Si,GaAs和LiNbO₃单晶堵塞图,以及GaAs单晶{110},{100}和{112}面堵塞半角ψ_1/2值.并得到因离子注入受损伤Si片{110}面堵塞坑深度随注入剂量增加而变浅的结果。作为对实验装置和方法的检验,我们也得到了Si单晶堵塞图和测量了Si单晶{110},{111}和{100}晶面堵塞半角ψ_1/2值。 关键词：     

各向异性扩散控制聚集集团的豪斯道夫维数

本文通过解析计算,给出了各向异性扩散控制聚集集团有效外半角β=min{β_x,β_y},修正了文献[1]关于有效外半角β=max{β_x,β_y}的假设,对各向异性扩散控制聚集集团的豪斯道夫维数D随各向异性扩散几率p的变化公式也作了相应的修正,并进行了计算机模拟实验,发现修正后的公式与实验符合较好,与Jullien等人的计算机模拟结果进行了比较,在p≥1/4时两者的结果是一致的。 关键词：     

高分辨X射线衍射研究杂质对晶体结构完整性的影响

用水溶液生长晶体的方法生长出了不同掺杂的Sr(NO₃)₂晶体.用电子探针研究了杂质在晶体中的分布情况.结果表明,杂质在晶体中存在扇形分凝,其中Ba在{100}扇形区的含量大于{111}扇形区,而Pb的分凝情况相反,在{111}扇形区的含量大于{100}扇形区.用高分辨X射线衍射摇摆曲线技术研究了纯的、掺Ba的和掺Pb的Sr(NO₃)₂晶体的完整性情况,并用X射线衍射动力学理论计算了完整Sr(NO₃ 关键词： 高分辨X射线衍射 杂质 水溶液晶体生长     

Bi12GeO20晶体的位错蚀斑与对称群

用化学浸蚀法系统的研究了Bi₁₂GeO₂₀晶体{100},{100},{111}等晶面独特浸蚀斑规律并用对称群理论进行分析.理论预示的蚀斑形态与实验结果符合很好.显示位错蚀斑是由{112}晶面组成,即晶体的惯态面为{112}.     

Si,GaAs和LiNbO_3单晶的堵塞效应

我们利用背散射方法得到Si,GaAs和LiNbO_3单晶堵塞图,以及GaAs单晶{110},{100}和{112}面堵塞半角ψ_(1/2)值.并得到因离子注入受损伤Si片{110}面堵塞坑深度随注入剂量增加而变浅的结果。作为对实验装置和方法的检验,我们也得到了Si单晶堵塞图和测量了Si单晶{110},{111}和{100}晶面堵塞半角ψ_(1/2)值。     

NiTi记忆合金中R相和马氏体相中孪晶界面的群论分析

利用母相群对低温相群陪集分解的理论,确定了NiTi形状记忆合金中R相存在四种变体,变体之间以{110}_p和{100}_p作为孪晶界面,四种变体可构成三种自适应群。马氏体相中存在三种变体,变体间的孪晶界面为{110}_p,三种变体可以构成四种呈三角形分布的自适应群。所得结果与实验工作基本一致。 关键词：     

BeAl2O4:Cr3+晶体的生长习性

分别沿a,b,c轴三种取向用提拉法生长了BeAl₂O₄:Cr³⁺晶体,用X射线和光学方法测定了各个显露面,确定了其密勒指数,并根据PBC理论计算了各显露面的重要性,计算结果与实验结果相符。 关键词：     

Magnetoelastic instability in the XXZ rings with next-nearest neighbour coupling

This paper numerically investigates the magnetoelastic instability in the S = 1/2 {XXZ} rings containing finite spins N with antiferromagnetic nearest-neighbour ({NN}) and next-nearest neighbour ({NNN}) coupling. It finds that, as the {NN} anisotropy Δ₁ equals the {NNN} anisotropy \varDelta₂, there exists a critical {NNN} coupling strength J₂^c(≈0.5), at which the systems always locate in dimerized phase for arbitrary large spring constant. As Δ₁ \ne Δ₂, the values of J₂^{\rm c} are dependent on N and the difference of (Δ₁-\varDelta₂).     

碱金属双原子分子部分电子态的完全振动能谱和离解能

对大多数双原子分子电子态的高阶振动能谱,现代实验方法和量子力学理论计算都难以得到较精确的振动能级.文中应用基于二阶微扰理论的代数方法(AM)以及计算双原子分子离解能的新表达式研究了碱金属双原子分子Li₂的3³Σ⁺_g,1³Δ_g和2³Π_g,Na₂的B¹Π_u以及K₂的4¹Σ⁺_g电子态的完全振动能谱{E_υ^AM}和离解能,理论计算结果不仅与已有的实验值相符,而且还给出了实验尚未得到的高阶振动能级.这些结果为碱金属双原子分子精确振动能谱和离解能的科学研究提供了重要数据. 关键词： 碱金属分子 高阶振动能级 离解能 代数方法     

Growth and piezoelectric characterisation of GeO2 single crystals with quartz structure

Abstract

The first results for growth of germanium dioxide single crystals with the crquartz type structure (α-GeO₂) from refluxed hydrothermal solutions are reported. The success of this method is due to the existence of metastable α-GeO₂ in aqueous solutions at relatively low temperature and to the structural similarity between α-GeO₂ and α-SiO₂. The continuous partial evaporation of the heated solvent, vapour condensation, saturation of the condensate by nutrient α-GeO₂ and growth of α -GeO₂ single crystals on quartz seeds are considered as the successive stages of the process. Mzre homogeneous crystals of α -GeO₂ were obtained on seeds parallel to {0001}, {1120} and {1121} faces using sodium hydroxide and ammonium fluoride solutions in the range of temperature 90-130°C and at pressure equivalent to the fugacity of saturated vapor.

Piezoelectric, elastic and dielectric properties of the mentioned above crystals for the first time were studied.     

C60单晶的表面形貌与生长缺陷

用气相法生长出了毫米尺寸的具有规则晶面和金属光泽的高质量的纯C₆₀单晶.X射线衍射分析表明,C₆₀单晶在室温下具有面心立方(fcc)结构,晶格常数为α=1.4199(4)nm。用扫描电子显微镜和光学显微镜观察了C₆₀单晶的形貌,除观察到fcc结构的晶体所特有的{111}和{200}两种稳定晶面以及非常容易形成的孪晶之外,还发现了在{111}面上的树枝状、垄状和生长丘以及在{200}面上的树枝状、游泳池状和生长丘的生长缺陷。对C_{60 关键词：}     

The growth of crystals by the chemical transport of material I. A new method of preparing magnetite single crystals

The paper describes the preparation of single crystals of magnetite (Fe₃O₄) by transport over the gaseous phase, in a sealed quartz ampoule. Growth occurs at 800°C, i.e. about 750°C below the melting point of magnetite. The crystals obtained, which are octahedral in form, are up to 2 mm in size; as a rule they are bounded by straight, shiny surfaces. Apart from the most frequent surfaces of an octahedron {111} we also see {110}, {hkk} and {hhk} surfaces. The quality of the surface enables the domain structure to be studied by the colloid technique without any further treatment.     

Field emission studies of oxygen on silver tips

Clean [111] oriented silver field emitting tips have been exposed to oxygen at 10^?3 Torr for 1 min at temperatures ranging from ? 170 to 200°C. From 50 to 200°C, an adsorption structure is formed that is stable in oxygen. The structure is characterized by intensely emitting regions on either side of enlarged {110}, {210} and {310} faces and a dark region in the (111)-{100} zone line directions. For adsorption from ? 170 to 200°C, the structure of the patterns depends distinctly on the adsorption temperature because the coverages are different and adsorption is activated. Oxygen adsorption at 10^?3 Torr for 1 min at 0°C causes an increase in the average work function of 1.15 eV. At 0°C, silver was exposed increasingly at 10^?6 Torr until 6100 L was reached. The work function increased progressively by 0.61 eV for this exposure. The {111}, {100}, {311}, {211} and {533} faces are attacked first. Then, the {110} faces are attacked followed by the {210} {310} and {320}. Heating of the adsorption layer formed at 0°C produced no changes in pattern and work function up to 100°C. Between 100 and 200°C, a strong decrease in work function and changes in the pattern result from oxygen penetration into the bulk.     

在热液条件下石英晶体的溶解及生长

本文实验部分主要研究了用温差法热液生长石英的溶液在冷却以后和重新建立的热液条件下所呈现的一些胶体化学性质。对冷却后的溶液做了超显微镜和电泳相结合的观察;对在重新建立起来的热液条件下的溶液仅做了电泳实验。在这两种情况下,对电泳迭合物都做了物相分析及加热过程中的物相转变的研究。理论部分根据实验结果及对石英晶体结构的考虑,推测了热液中真溶液部分,在晶体溶解及生长过程中分子的分散和重合的几个可能和主要阶段的结构,着重考虑到溶液中六联环状分子Si₆O₆(OH)₁₂的形成、活动、配联和结晶等问题。从较大的水合分子在结晶过程中的脱水作用,结合表面张力等因素对石英表面上巨大的生长螺旋和一些其他模样的成因做了一些推论,并从生长着的小晶体落在生长着的大晶体柱面上的取向附生的事实说明较大分子的取向性地生长于晶体上是完全可能的。     

New polyhedral forms of diamond growth

Abstract

A new type of a diamond crystal habit is obtained by the recrystallization in the formation of which tetragontrioctahedral faces {311} play a major role. At appropriate conditions the forms {111}, {110}, {311} are equideveleoped. When temperature rises an advantageous development of octahedral faces occurs. An increase of the mass transfer rate results in the same effect. The decisive factor in the new habit type formation is the nitrogen content in a growth system     

PbFe12O19单晶体中的位错蚀斑研究

应用50％HCl作为浸蚀剂,对助熔法生长的PbFe₁₂O₁₉单晶体的(0001)解理面进行了浸蚀,以显示位错蚀斑。根据蚀斑所具有的形态,将其进行了分类,并确定了各自对应的位错类型。应用Mathews等人提出的机制,解释了在(0001)基面上所观察到的位错蚀斑阵列。 关键词：     

An electron energy loss study of aluminum single crystals exposed to carbon monoxide

Aluminum single crystals of orientations {111}, {110}, and {100} were exposed at room temperature to carbon monoxide. The electron energy loss spectra of the exposed surfaces (> 20000 L) were essentially the same as those of clean surfaces. Since such spectra are very sensitive to small amounts of absorbate (e.g., 0.001 to 0.01 monolayer of oxygen), it is inferred that carbon monoxide does not adsorb on these clean low-order faces at room temperature. Similar results were obtained on polycrystalline and evaporated film samples. This finding contrasts with previous work on aluminum exposed to carbon monoxide.     

The topography of nickel crystals during the reaction towards Ni(CO)4; A field ion microscope study

The structural aspect of the formation of Ni(CO)₄ by the reaction of CO with solid nickel has been studied. The nickel initial state was a nearly hemispherical single crystal as prepared by field evaporation of a nickel field emitter tip. Field-free reaction of CO with the clean nickel surface took place at pressures up to 2 mbar, reaction times up to 45 h, and at a temperature of 373 K, which as a result from work by others was found optimum for highest rates of Ni(CO)₄ formation. Neon field ion imaging at 80 K after reaction with CO showed the crystal always in an intermediate state, which had the features: (1) Areas of {;111} were increased; (2) at half angles between a central (111) and peripherical {111} planes there were {110} planes flanked by {210}, and {100} flanked by {511}, respectively; (3) with the exception of the planes mentioned in feature (2), the remaining surface area was more than mono-atomically stepped. From these results and in accordance with the theory of crystal growth (Kossel, Stranski) and the theory of crystal dissolution (Lacmann, Franke, Heimann) a pure octahedron is expected to be the final state of the crystal. This implies that nickel atoms removed by the reaction are most frequently taken from 〈110〉 atom chains of the {111} planes.     

Shift photocurrent induced by two-quantum transitions

A theory of the shift current induced by direct two-photon and indirect one-photon absorption is developed for noncentrosymmetric crystals. A formula is derived for the microscopic shifts of Bloch electrons induced by two-quantum processes. It is shown that the ratio of the two-photon photocurrent at the photon frequency ω to the photocurrent induced by direct one-photon transitions at the photon frequency 2ω, as compared to the corresponding absorption-rate ratio, contains a large factor {ie152-1}ω/(2{ie152-2}ω − E _g), where E _g is the bandgap; i.e., these photocurrent can be comparable in order of magnitude. For crystals of T _d symmetry, the photocurrents induced by one- and two-photon absorption are compared in terms of polarization dependence.