晶格常数

ZnO has wurtzite structure, and its lattice parameters are a=0.3249 nm and c=0.5206 nm.

ZnO具有六方纤锌矿结构，晶格常数a = 0.3249 nm， c = 0.5206 nm。

The selected area electron diffraction pattern also shows that the epi-layer is 3C-SiC film with a zinc blende structure,and the calculated lattice constant is 0.4362nm.

选区电子衍射花样标定结果再次说明外延薄膜为闪锌矿结构的3C-SiC，计算的晶格常数为0.4362nm。

The nanocrystallite shows the cubic zinc blende structure, and the average size is 55nm, the minimum size is 3nm. The lattice constant is 5.869×10~(-10)m. The nanocrystallite shows the obvious quantum size effect.

研究结果表明合成的晶粒具有立方闪锌矿结构，平均粒径为55nm，最小粒径为3nm，晶格常数为5.869×10~(-10)m，具有明显的量子尺寸效应，而且晶粒的完整性好，产率高。

We have calculated the electronic structure and optical properties of zinc blende structure ZnSe under different high pressure by means of plane wave pseudo-potential methodwith generalized gradient approximationin this paper.The total energy,density of state,energy band structure,and optical absorption and reflection properties under high pressure are calculated.Furthermore,we analyzed the change of electron structure,band structure and optical properties under high pressure using the results of experiment and theory

运用密度泛函理论体系下的平面波赝势和广义梯度近似方法，利用第一性原理计算了不同的压强下ZnSe晶体闪锌矿结构，得到了它的平衡晶格常数、总能量、电子态密度分布、能带结构、光反射与吸收系数等性质，具体讨论了高压下ZnSe的电子结构，并且结合实验结果定性地分析了高压下的光学性质。

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。

The lattice constants and unit-cell volume increase monotonically with increasing of Mn concentration, it is because that Mn atom radius is larger than that of Fe.

这可归结为Mn原子半径比Fe的大，但不同晶格常数变化的大小不一样，可能与Mn原子的占位有关。

With increasing χ, the lattice constantincreases and the magnetization monotonically decreases.

随着x的增加，晶格常数增大，而磁化强度I_s单调地减小。

The influence of Zr/Ti on the mechanical and electrical properties ,phase composition,lattice constant of lead niobium stibium zirconate titanatePb(Nb1/2Sb1/2TiO3-PbTiO3-PbZrO3 (Nb1/2Sb1/2=0.02mol piezoelectric ceramics ,in which there are tetragonal and rhombohedral phases coexistent (morphotropic phase boundary,MPB),was studied by conventional containing lead piezoelectric ceramic processing and X-ray diffraction.

借助X-射线衍射仪，采用传统含铅压电陶瓷制备工艺研究了Zr/Ti对准同型相界附近铌锑锆钛酸铅（Pb(Nb1/2Sb1/2)TiO3-PbTiO3-PbZrO3）(Nb1/2Sb1/2=0.02mol压电陶瓷机电性能、相组成和晶格常数的影响。

The dependence of structural parameters including lattice constants, rhombohedral angle, and atomic coordinates on pressure was also studied.

对锗R8相结构参数的压力依赖性也进行了研究，包括晶格常数、伞状角、原子位置参数随压力的变化情况。

Then GaN nanostructured thin films comprised of regular hexagonal crystal grains have been successfully synthesized by ammoniating Ga2O3 films at the temperature of 850℃ for 15 rain in a quartz tube. X -ray diffraction reveals that the synthesized GaN is of a hexagonal wurtzite structure with lattice constants a =0.318 nm and c =0.518 nm.

然后将硅基Ga2O3置于管武石英炉中，在850℃的氨化温度下氨化15min后，成功制备出GaN薄膜，该薄膜由正六边形的晶粒组成。X射线衍射表明GaN具有六方纤锌矿结构，晶格常数为a=0.318nm和c=0.518nm.X射线光电子能谱的测试确定了样品中Ga-N键的形成，并且Ga和N的化学计量比为1：1。

Do you know, i need you to come back

你知道吗，我需要你回来

Yang yinshu、Wang xiangsheng、Li decang,The first discovery of haemaphysalis conicinna.

1〕 杨银书，王祥生，李德昌。安徽省首次发现嗜群血蜱。