晶格结构

Firstly, we studied the effects of synthetic temperatures on AgSbPb18Te20 samples in specific pressure. The XRD results indicate that AgSbPb18Te20 can be synthesized at more than and equal to 1120℃ and synthesized AgSbPb18Te20 samples are belong to cubic system.

结合指标化程序给出的晶格参数和我们实验测定的密度，我们认为我们所合成的样品是固溶体，然后又对样品三的原始XRD谱，利用Material Studio中的Reflex模块中的Reflex Solve对其进行了结构求解，得到其最好的结构为符合空间群为FM-3M的结构（如图4.9）。

A new hexagonal approximant has been found in Al-Cr-Si alloys and its axial lattice parameter follows a τ''s power series τ=(1 √5/2 is the golden number relationship, implying that they are all decagonal approximants. A rule of the icosahedral chains in them has been found.

在Al-Cr-Si合金中发现一种新的六角近似相，它与几个结构已知的六角相的晶格常量呈黄金数τ=(1 √5/2的幂级数关系，说明它们都是十重准晶的近似相，并找出其中二十面体链的规律。

In this article, the stress inside a quantum-wire structure is studied. Based on the derived expression of the stress inside a quantum-wire structure with arbitrarily shaped cross section, the analytical solution of the stress inside a trigonal quantum-wire structure in an infinite matrix is obtained.

研究了晶格失配和热失配在半导体量子线结构中所产生的弹性场，在分析圆柱形量子线结构弹性场的基础上，推导得到了任意截面形状量子线结构解的一般形式，并给出无限大基体内横截面为三角形量子线结构的解析结果。

The result also indicated that variation in atomic neighbour distance with concentration is about 40 percent and 20 percent, respectively, for ionic bond and covelent bond solid solutions, compared with that expected by the near neighbour vegard's law, while in the metallic bond solid solutions, this exceeds 50 percent, even reaches 80 percent 〓 so.

用虚晶格近似模型来描述固溶体中的原子近邻结构是不恰当的，然而原子近邻距的加权平均却与VCA值一致，这说明固溶体晶胞参数随成分的变化规律是由原子近邻距随成分的变化规律所决定的。

The results show that the calculated cell parameters are in agreement with the experimental ones. The interactions between Li—N and Al—N are strong ionic bonds in Li3AlN2. The interaction between N and H is strong covalent bond and the interaction between Li and N is strong ionic bond in LiNH2. The calculated reaction enthalpies are 23.7 and 55.3 kJ/mol, respectively, which are in agreement with the experimental ones.

结果表明：Li3AlN2的Li—N、Al—N键主要为离子键，LiNH2的N—H键主要为共价键，Li—N键主要为离子键；298 K时贮氢反应的反应焓计算值分别为23.7和55.3 kJ/mol，与实验值均符合得较好；反应中各固态、气态物质的晶胞的结构优化后的晶格常数、键长与键角等与相应的实验值均符合较好。

The corrugated lateral surface superlattice is one important kind of structures in such low-dimension systems and it has been possible to fabricate ultrafine periodical lateral structures and provide more adjustable structural parameters.

折皱横向表面超晶格就是其中一类重要的低维结构，并且人们已经能够刻制出具有高精确度和更多可调结构参数的横向周期结构。

Crystal lattice constants are close to other experiment results. Three kinds of chemical bonds exist among Mg and B atoms, between magnesium and boride is ionic bond and metallic bond is the predominant interaction in the layer formed by magnesium atoms. A strong covalent bond in the form of sp2 hybrid between boride atoms is the most important factors which can affect the transition temperature of MgB2. Population analysis clearly shows that electrons are transferred from Mg to B, as a result, the electron-phonon coupling in the layer of B is very strong.

规范保守赝势的计算结果表明，晶格常数与实验值误差在很小的范围内，分析了引起MgB2(001)面结构超导转变时电子浓度和偏态密度的变化情况，发现构成该超导体结构的成键有3种，着重从结构的电子浓度变化分析了其超导特性，六角蜂窝状结构中硼原子间相互作用为sp2杂化的共价键，镁原子和硼原子之间是离子键结合，镁原子层是金属键结合，镁原子的价电子部分转移到硼原子的pz轨道，部分电子为镁原子层共用。

Using the one-atom theory, the electronic structures of Pt-electrocatalyst with fcc structure was determined as follows:(5dn)6.48 (5dc)2.02 (6sc)1.48(6sf)0.02. Compared to the result obtained by the first-principle method such as FP-LMTO, CASTEP, their results are in good agreement with each other. Comparing the calculations of physical properties such as lattice constants, cohesive energy and bulk modulus by OA method and first-principle method, the result obtained by OA method is in excellent agreement with experimental value, but the result obtained by first-principle method is not accordable. The relationship between the electronic structures and catalytic performance was explained qualitatively by OA method and first principle method according to its electronic structures. Because the d-orbital vacancies increases and static density is high around Fermi energy band, Pt has good catalytic performance.

摘 要：依据纯金属单原子理论确定面心立方结构电催化剂Pt的电子结构为(5dn)6.48(5dc)2.02-(6sc)1.48(6sf)0.02，与采用第一原理的FP-LMTO和CASTEP等方法所计算的电子结构相比较，其结果非常相近；由OA理论和第一原理方法计算的晶格常数、结合能、体弹性模量等物理参数进行比较，OA理论计算的结果与实验值较符合，而第一原理方法计算的结果与实验值相差较大；在此基础上用OA理论和第一原理方法研究了Pt的电子结构与催化性能的关系，由于d带空穴增多和费米能级附近态密度较高，导致金属Pt的催化性能很好。

Ostwald ripening is a key mechanism in the destabilization of emulsions (for example, by creaming and sedimentation).

同时最近几年，Banfiled又提出了一种新的晶体生长机制也能形成单晶结构，oriented attachment，多个取向不一致的单晶纳米颗，通过粒子的旋转，使得晶格取向一致，向后通过定向附着生长使这些小单晶生长成为一个大单晶，当然定向附着的过程出难免会出现一些位错和缺陷，这种生长机理形成的单晶的特点同Ostwald ripening不同，OR形成的单晶大多是规则的，给材料本身晶体结构相关，而OA形成的单晶结构在形貌上则没有限制，任何形状和结构的单晶材料都能通过此机理形成。

Adding transition metals into the TiN films by arc ion plating (1) The hardnesses of theN films are higher that that of the TiN films, proving that the alloy hardening effect is a common phenomenon;(2) The structures of the alloyed films are determined by the added element properties such as covalent radius, electro negativity, free energy and lattice parameters of the MN compound;(3) theN film consists of a mixture of multi phases with high hardness but quite brittle, while the other MN films are composed of single phase with the fcc TiN structure and their hardesses, functions of the added amounts of the elements, manifest always a maximum at a certain M percentage.

一、将过渡金属M用电弧离子镀方法添加于TiN薄膜中：1。N薄膜硬度均高于TiN薄膜硬度，合金强化效应普遍存在；2。薄膜相结构决定于添加元素M的周期律信息，包括M的共价半径、电负性，及MN化合物的自由能、晶格常数等；3。N为多相混合结构，薄膜硬度高，但韧性差；其它N的相结构为TiN类型的单一fcc结构，薄膜硬度随M添加量变化并出现峰值；4。

Fancy gold-plated dangling earrings with facetted White Opal crystals.

花式镀金悬垂耳环与facetted白欧泊水晶。

This essay chooses the study aim from biology teachers in middle school in Shi Jiazhuang which tells us that most of the middle school biology teachers in Shi Jiazhuang have the"burnout", lower successfulness, individualize.

本文选取石家庄市初中生物教师作为研究对象，运用问卷调查的方法对石家庄市初中生物教师职业倦怠的现状进行调查，调查结果发现，石家庄市初中生物教师这一群体普遍存在职业倦怠，情感枯竭程度偏高，成就感偏低，去个性化程度最为严重。