能隙对称性；自旋涨落；局域态密度。
氢分子吸附后，费米能级处的局域态密度增加。
The local density of states at the Fermi level increases with the adsorption of hydrogen molecules.
态密度越高越好。
在此基础上计算了化合物的能带结构和电子能态密度。
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。
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。
The densities of accessible final states for calculations of multi—step compound reactions are derived.
分波局域态密度给出了体系中各原子间的轨道相互作用。
Partial-wave local density of slates gave interactions between atoms.
由它们的态密度图可以看出，这些团簇均展现半导体性质。
From the figures of their density of states (DOS), we can find that these clusters all present semiconductor-like properties.
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 electronic density of states (DOS) of the system as well as low temperature thermodynamic quantities are obtained under the saddle point approximation.
沟道掺杂浓度提高，同样的界面态密度造成的漏极特性漂移增大。
The shift of drain current induced by same interface states density increases with the increase of channel do - ping density.
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。
The simulation of total energy flow and the density of states show that the dodecagonal QPC has photonic gap for TM polarized electromagnetic waves.
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。
Results show that a small density of states due to the -U centers exists in the region of "energy gap".
研究结果表明磁光电导谱的峰值和强度强烈依赖于填充因子和态密度。
The peak position and intensity of the magneto-optical conductivity depend strongly on the filling factor and the broadened DOS.
从理论上给出了微观系统在有限温度下态密度用松原函数表示的表达式。
A state density representative of microscopic system related to Matsubara function is theoretically given under finite temperature.
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 concept of electronic density of states in Solid state Physics has been extended to study of electronic structure of molecular crystal.
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 changes of volume, band structures, electronic density of states and charge density contour plots for lithium intercalation in InSb are also discussed.
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；
Numerical results clearly show that the Coulomb gap in the single-electron density of states is filled gradually up as the temperature increases.
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。
The local density of states (LDOS), the mobility edge, the localization critical value and the DE conductivity for two-dimensional disorder systems are calculated.
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。
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.
采用由广义不确定关系得到的新的态密度方程，研究了球对称退化背景下黑洞的熵。
We gave a new equation of state density by the generalized uncertainty relation, studied black hole entropy on degenerate background of sphere symmetry.
根据这种方法，我们研究了氢等离子体处理对多晶硅薄膜晶体管禁带态密度的影响。
With this method, the influences of the plasma hydrogenation on the gap state density have been investigated.
本文报道了应用变温光伏方法对半导体表面能级，表面态密度的非破坏性测量原理。
The measured undestructivly theory for the surface energy level and the surface state density of semiconductors fay the method of photovoltages at changed temperatures is reported.
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。
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.
利用VASP软件包可计算形成能、相图、电压和材料的晶体结构参数及态密度等。
The formation energy, phase diagram, voltage, crystal structural parameter and density of state can be calculated using VASP software package.
你们可以看到两个轨道，靠在一起相长叠加，这就是为什么中间的电子态密度增加了。
The reason that there is increased electron density here is you can see that these two orbitals come together and constructively interfere.
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。
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.
用量子化学计算方法计算了样品的电子态密度。并将计算结果与XPS测试结果作比较。
The density of state is calculated by the calculating method of quantum chemistry, and the result of calculation is compared with the result of XPS.
在原有滚动窗口路径规划方法基础上，提出基于正态密度函数的滚动窗口路径规划方法。
A method of path planning based on rolling Windows with function of normal distribution density for mobile robot was presented in this paper.
我们计算了声子态密度曲线，并与均匀合金的情况及不考虑力常数无序的情况作了比较。
The densities of the phonon states have been calculated and compared with those in the case of the homogeneous alloys and in the case without considering the force-constant disorder.
我们计算了声子态密度曲线，并与均匀合金的情况及不考虑力常数无序的情况作了比较。
The densities of the phonon states have been calculated and compared with those in the case of the homogeneous alloys and in the case without considering the force-constant disorder.
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