助手标题  
全文文献 工具书 数字 学术定义 翻译助手 学术趋势 更多
查询帮助
意见反馈
   calculate the energy band 的翻译结果: 查询用时:0.2秒
图标索引 在分类学科中查询
所有学科
更多类别查询

图标索引 历史查询
 

calculate the energy band
相关语句
  能带计算
     The empirical LCAO method is used to calculate the energy band.
     能带计算采用经验LCAO方法.
短句来源
  “calculate the energy band”译为未确定词的双语例句
     Furthermore, these poteatials are used to calculate the energy band of GaAs_xP_(1-x).
     使用所得的调整原子势进一步计算了GaAs_xP_(1-x)合金的能带。
短句来源
     In this paper, we calculate the energy band structure of the phononic crystal by making use of the method of plane wave expansion and investigate the influence of crystal structure, the properties of elastic units and the filling and shape of scatterer on the band gaps in an attempt to provide theoretical guidance to the preparation of phononic crystals.
     本文利用平面波展开法计算声子晶体的能带结构,研究声子晶体的结构,组元的性质及散射体的填充率、形状对能带结构的影响,力图为制备性能良好的声子晶体提供理论指导。
短句来源
     The ab initio method, which is theoretically accurate, is applied to calculate the energy band structure of diamond. The results obtained is in good agreement with the experimental values.
     ——本文利用理论上严格的从头算方法计算了金刚石的能带,得到了与实验基本一致的结果.
短句来源
     In this paper, the EHMO/CO method is used to calculate the energy band structures of the high-level MF5(M = P, As, Sb)-doped Polyacetylene (PA).
     本文采用EHMO晶体轨道方法计算了第五主族氟化物高掺杂聚乙炔的能带结构.
短句来源
     The simple coherent potential approximation(SCPA) is developed to calculate the energy band gap Eg of the ternary mixed crystal(TMC) InGaN in group Ⅲ-Ⅴ.
     使用简化相干势近似(SCPA)计算了 — 族三元混晶InGaN的禁带宽度.
短句来源
  相似匹配句对
     The empirical LCAO method is used to calculate the energy band.
     能带计算采用经验LCAO方法.
短句来源
     The energy of the N-
     N粒子的散射态和束缚态的能量分别为
短句来源
     The energy of D.
     根部能量的积累随放牧强度的提高而逐渐减少。
短句来源
     THE DERIVATION OF THE ENERGY BAND GRADIENT
     能带梯度的推导
短句来源
     the width of impurity energy band;
     杂质离化能;
短句来源
查询“calculate the energy band”译词为用户自定义的双语例句

    我想查看译文中含有:的双语例句
例句
为了更好的帮助您理解掌握查询词或其译词在地道英语中的实际用法,我们为您准备了出自英文原文的大量英语例句,供您参考。
  calculate the energy band
The pseudopotential method is used to calculate the energy band structures of four
      
A mixed tight-binding, pseudopotential method is proposed to calculate the energy band structure of large-gap crystals and is tested here on LiF, NaF and KF.
      
The empirical tight-binding method has been used to calculate the energy band structure of semiconductors.
      


The ab initio method, which is theoretically accurate, is applied to calculate the energy band structure of diamond. The results obtained is in good agreement with the experimental values. And also studied is the saturator passivating the dangling bonds on the clustersurface-one of the methods for solving boundary condition at present. It was found that the exact results could hardly be obtained using hydrogen or virtual carbon (Cv) as a saturator because these bond lengths was not ia correspondence with...

The ab initio method, which is theoretically accurate, is applied to calculate the energy band structure of diamond. The results obtained is in good agreement with the experimental values. And also studied is the saturator passivating the dangling bonds on the clustersurface-one of the methods for solving boundary condition at present. It was found that the exact results could hardly be obtained using hydrogen or virtual carbon (Cv) as a saturator because these bond lengths was not ia correspondence with the minimum of total energy of the system and the optimum band gap, but the best bond length corresponding to them lay between C-H and C-Cv, e.g. it ranged from 1.25 to 1.26 A.

——本文利用理论上严格的从头算方法计算了金刚石的能带,得到了与实验基本一致的结果.并对目前解决边界条件的方法之一——加饱和子钝化表面悬挂键——进行了研究,发现利用H或虚C(以下均用 C_v表示)作饱和子,不能得到正确的结果.因为这些键长并不对应体系总能量的极小值和最佳带隙,而对应于体系的总能量极小值和最佳带隙的键长处在C—H和C—Cv键之间,约在1.25~1.26(?)之间.另外,对从头计算方法的原理和计算上的一些考虑也作了简单的介绍.

There are two levels in the structure of molecular crystals.The first level is molecule forming from atoms due to chemical bonds. The second level is crystal forming from molecules due to van der Waals forces. The structure characteristics of molecular crystals determine the characteristics of electronic energy bands. The band positions of the crystal orbitals are determined by the energy levels of the molecular orbitals; the widths of the bands and the state-densities are determined...

There are two levels in the structure of molecular crystals.The first level is molecule forming from atoms due to chemical bonds. The second level is crystal forming from molecules due to van der Waals forces. The structure characteristics of molecular crystals determine the characteristics of electronic energy bands. The band positions of the crystal orbitals are determined by the energy levels of the molecular orbitals; the widths of the bands and the state-densities are determined by the mutual action between the molecular orbitals belonging to the different molecules in the crystal. The relations between the energy bands of the crystal orbitals and the energy levels of the molecular orbitals and the atomic orbitals are shown in Fig. 1. (All of the equations, tables and figures can be found in the Chinese Text). According to Bloch's theorem and Born-von Kármán boundary condition, the one-electron crystal orbital may be expressed as Eq. 3. The meanings of the symbols in Eq. 3 are as follows: c—crystal orbitals, a—atomic orbitals, α—wave number,b—band index, A—normal coefficient, l—order number of the molecule in the crystal, n—number of atomic orbitals in the molecule, C—coefficient of linear combination and j—order number of the atomic orbital in the molecule. Substitute Eq. 3 into Schrodinger equation (Eq. 4). By means of a series of calculations, this problem is changed into a complex generalized eigenvalue problem as Eq. 24. If we denote "R" as real components and "I" as imaginary components, the relation between Eq. 24 and Eq. 6 may be obtained from Eq. 23. Their matrix elements are expressed as Eq. 7. This method is called direct method using linear combination of the atomic orbitals to the crystal orbitals, i. e. LCAO·CO method calculating energy bands of crystal orbitals. In the molecular crystal, the mutual action of the atomic orbitals between the molecules is much weaker than that within the molecule. (α_1,α_2,α_3) reflects the mutual action between the molecules in the crystal, so we may suppose that the coefficients of the linear combination C_j~h (α_1, α_2,α_3) are not connected with (α_1,α_2,α_3), then Eq. 15 is obtained. |l_1,l_2,l_3,b>m denotes the bth molecular orbital in (l_1,l_2,l_3) th molecule within the crystal. Then, the crystal orbital may be expressed by Eq. 16. Substitute Eq. 16 into Eq. 4. By a series of calculations, Eq. 17 is obtained to calculate the energy bands of the crystal orbitals. This method is called the method of using linear combination of the molecular orbitals to the crystal orbitals, i. e. LCAO-MO-LCMAO·CO method calculating energy bands of the crystal orbitals, Eq. 17 is much simpler than Eq. 24 in calculation. Using the concrete results calculated, we have proved that Eq. 17 gives the same energy bands as Eq. 6 or Eq. 24 for the molecular crystal. In the case of molecular crystals, the second term in the denominator of Eq. 17 is much less than one, so Eq. 17 can be expanded to obtain Eq. 19. It results in the conclusion about the structure characteristics of the electronic energy bands which has been pointed out in the previous section. For verifying the viewpoint given in the previous section with concrete data, We set up two one-dimensional models of molecular crystals, namely, Model in Series Type and Model in Parallel Type (see Figs. 3 and 4). There are two is atomic orbitals in every molecule. The distance between two adjacent molecules is d and that between two ls atomic orbitals in the molecule is r. If EHMO is applied to caloulate the energy bands of these two kinds of molecular crystals of onedimensional model, then Eqs. 17 and 7 are changed into Eqs. 20 and 25 respectively. The results calculated are shown in.Tables 2 and 3 and Figs. 5 and 6. From the tables and figures mentioned above, it can be seen that the energy bands calculated with Eq. 20 approaoh those calculated with Eq. 24 when d inereases. The more d inoreases, the more the width of the energy bands deoreases. At last, the energy bands ohange into energy levels belonging to the isolated molecule (4.254 and—17.567eV).When d is twice as large as r, the results calculated from Eq. 20 are already the same as those calculated from Eq. 24. In addition, comparing these results with the data in Table 4, we can see that the condition for approaching the calculation using LCMO·CO method to the ealoulation using LCAO·CO method is nearly the same as the condition for S_m《1 in Eq. 19 or 20. One-dimensional model molecules have been investigated in this paper, the results agree with the theoretical d eduotion. TTF-TCNQ, as an example of molecular crystals of one-dimensional model, has an intermolecular distance of 3.819 A. It is more than four times of the size of the interatomic distance in the molcoule (<1 A). So, according to the result given in this paper, we may use the method of the linear combination of the molecular orbitals to calculate the energy bands in a convenient manner.

本文研究了分子晶体电子能带的结构,指出:分子晶体电子能带的位置由分子的分子轨道能级决定,而能带宽度由各个分子中分子轨道间的相互作用决定。由此出发,提出了计算分子晶体的电子能带的简便方法。

We have used the perturbation theory to calculate the energy bands of the bipolaron and the free-polaron, in order to investigate the stabilities of the singlet and the triplet bipolaron states. By analyzing the specific heat and the magnetic susceptibility, we illustrate the importance of the triplet bipolaron state in understanding the experimental data.

应用微扰理论计算了双极化子和自由极化子的能带,以能带结构讨论了单重态和三重态双极化子的稳定性。通过对比热和磁化率的分析,显示出必须考虑三重态才能正确地解释有关的实验现象。

 
<< 更多相关文摘    
图标索引 相关查询

 


 
CNKI小工具
在英文学术搜索中查有关calculate the energy band的内容
在知识搜索中查有关calculate the energy band的内容
在数字搜索中查有关calculate the energy band的内容
在概念知识元中查有关calculate the energy band的内容
在学术趋势中查有关calculate the energy band的内容
 
 

CNKI主页设CNKI翻译助手为主页 | 收藏CNKI翻译助手 | 广告服务 | 英文学术搜索
版权图标  2008 CNKI-中国知网
京ICP证040431号 互联网出版许可证 新出网证(京)字008号
北京市公安局海淀分局 备案号:110 1081725
版权图标 2008中国知网(cnki) 中国学术期刊(光盘版)电子杂志社