Gap Symmetry; Spin Fluctuation; Local Density of States.
能隙对称性；自旋涨落；局域态密度。
The charge transfer, the bond strengths and the density of states are also considered.
还计算了电荷转移、成键情况和状态密度。
The local density of states at the Fermi level increases with the adsorption of hydrogen molecules.
氢分子吸附后，费米能级处的局域态密度增加。
The band structure, energy gap, the density of states and the partial density of states in the case.
在此基础上计算了化合物的能带结构和电子能态密度。
Results show that a small density of states due to the -U centers exists in the region of "energy gap".
结果表明，-U中心的存在使激发谱“能隙”内出现很小值的态密度。
With fewer energy levels within the specific energy band, the density of states of the material changes.
随着单位能带内的能级变少，材料的状态密度也将发生变化。
The corresponding image of local density of states in real space shows a highly localized state around the defect.
然后逐点计算局域态密度发现，在实空间准束缚态是一个非常局域化的效应，离开缺陷即迅速衰减。
The energy bands and density of states were calculated using the VASP(Vienna ab-initio simulation package) program.
在此基础上计算了化合物的能带结构和电子能态密度。
There was several kinds of methods to calculate carbon nanotube's phonon spectrum and the vibrate density of states.
关于碳纳米管的声子谱及振动态密度的计算方法有好几种。
From the figures of their density of states (DOS), we can find that these clusters all present semiconductor-like properties.
由它们的态密度图可以看出，这些团簇均展现半导体性质。
Cathodoluminescence (CL) is an important experimental method for analysing the structure, density of states and defects of crystals.
阴极射线发光分析方法是研究材料的结构和能态的重要手段。
The concept of electronic density of states in Solid state Physics has been extended to study of electronic structure of molecular crystal.
本文把固体物理学中的电子态密度概念推广到分子晶体的电子结构研究。
The chemisorption properties, including the length of CO bond, orbital population and density of states, are computed and analyzed respectively.
从结合能、C O键长、轨道布居、态密度等方面比较了C与金属成键强度及CO分子被活化程度。
Numerical results clearly show that the Coulomb gap in the single-electron density of states is filled gradually up as the temperature increases.
数值结果表明：随着温度的升高，单电子态密度所呈现的库仑能隙逐渐消失；
The simulation of total energy flow and the density of states show that the dodecagonal QPC has photonic gap for TM polarized electromagnetic waves.
能流和态密度的计算结果都表示十二重准晶光子晶体具有光子带隙。
Photonic band gap (PBG) structures have been shown to have a density of states (DOS) of emission field different from that of free-space vacuum field.
光子带隙结构中的辐射场态密度(DOS)不同于自由真空场中的辐射场态密度。
Firstly, the influence of point defects on the density of states and conductance for metallic carbon nanotubes is studied based on the tight-binding model.
首先，基于紧束缚模型研究了非磁性点缺陷对金属型单壁碳纳米管态密度和电导的影响。
The changes of volume, band structures, electronic density of states and charge density contour plots for lithium intercalation in InSb are also discussed.
讨论了锂嵌入时的体积变化、能带结构、电子态密度以及电荷分布等性质。
The electronic density of states (DOS) of the system as well as low temperature thermodynamic quantities are obtained under the saddle point approximation.
在鞍点近似下，求得了系统的电子态密度和一些低温热力学量。
The valence-band offsets of such systems are calculated by frozen potential method and their Joint density of states has been computed by tetrahedron method.
在此基础上，用冻结势方法计算了该超晶格系统的价带带阶；用四面体方法计算了该系统的联合态密度。
The total density of states with above bond distance is calculated and it is in good agreement with the UPS result considering final state and relaxation effect.
在以上最佳键长处计算了总态密度，考虑终态和弛豫效应后与UPS实验结果符合更好。
The local density of states (LDOS), the mobility edge, the localization critical value and the DE conductivity for two-dimensional disorder systems are calculated.
计算了二维无序系统的电子态密度、迁移率边界、局域化临界点以及直流电导率。
It's electronic structure, including spectrum of the ground state valence levels, density of states, and the charge transfer between adsorbate and substrate, is obtained.
得到了它的电子结构，包括分子丛轨道能量本征值谱、态密度、电荷转移等等结果。
The electronic bands, density of states and optical properties are obtained accordingly, and the doping-effects on the electrical and optical properties also are analysed.
分析讨论了晶体结构，电子能带，态密度和光学性质与掺杂元素种类和掺杂量之间的关系。
Without considering curvature effect, we study the contribution of the electronic heat capacity, group velocity and density of states of(6,0)Single-walled carbon nanotubes.
在忽略卷曲效应的情形下，计算（6，0）管的电子能量、群速及能态密度三个参量，然后利用这些参量推算重要热学量电子比热客．结果表明；
Furthermore, it is found that the stability depends strongly upon the band filling of the bonding states and exhibits a inverse relationship with the density of states at E_F.
而且结构的稳定性强烈地依赖于对成键态的填充度，与e_f处的状态密度呈相反变化的关系。
The self-consistent band structure, total and partial density of states for the stable compounds hcp-WC and MoC are calculated by the LMTO-ASA method based on Kohn-Sham's LDF theory.
本文基于局域密度泛函理论（LDF）和LMTO-ASA方法，计算了稳定的六角结构碳化钨和碳化钼的自洽能带结构，总态密度和分波态密度。
However, due to a considerable variation in land area, 1 population density and climatic, geological and topographical conditions, the extent of forest cover differs greatly among the island states.
然而，由于各岛屿国家的陆地面积、1人口密度、气候、地理地形条件等有很大差异，它们的森林覆盖程度也有很大差别。
However, due to a considerable variation in land area, 1 population density and climatic, geological and topographical conditions, the extent of forest cover differs greatly among the island states.
然而，由于各岛屿国家的陆地面积、1人口密度、气候、地理地形条件等有很大差异，它们的森林覆盖程度也有很大差别。
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