The local density of states of surface electron in the quantum corral and simulation 量子围栏中的表面电子局域态密度及其模拟
Density Functional Theory Study on Energy Band and Density of States of ZnO ZnO能带及态密度的密度泛函理论研究
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 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。
Gap Symmetry; Spin Fluctuation; Local Density of States. 能隙对称性;自旋涨落;局域态密度。
A Study on Density of States and Magnetism of V-and Cr-Doped AlP Ferromagnetic Semiconductors V,Cr掺杂AlP稀磁半导体的电子能态密度和磁性研究
Based on the transfer matrix for the bilayer structure, we compute the density of states along the axis of the finite one-dimensional photonic crystal, which is constructed out of N such bilayer structures periodically. 利用该双层结构的转移矩阵,我们数值计算了由N个这种双层结构周期性排列而构成的一维有限长度光子晶体的透射率和态密度。
The local density of states is obtained through Green function. 通过格林函数可获得局域态密度。
The charge transfer and the layer projected density of states are also studied. 同时对电子转移情况和层投影态密度进行了研究。
The local density of states depends appreciably on the electron occupation of the dot. 量子点的局域态密度明显依赖于点内的电子占据数。
The properties of density of states and band structure on KDP with K vacancy were discussed. 讨论了K空位形成后电荷密度的重新分布、相应的电子态密度和能带结构等性质。
The calculations of total energy, electronic density of states and Mulliken population of LaNi_4Co were carried out. 计算了LaNi4Co的总体能量、电子态密度以及Mulliken布居电荷。
Effect of surface and interface on the phonon density of States 表面和界面对声子谱的影响
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 authors also determine the shape of the quasiparticle density of states and the anisotropy of the upper critical field and the superfluid density. 也确定了准粒子态密度的形状、上临界磁场和超流密度的各向异性。
In this thesis, we have made a deep investigation on the conductance and the density of states of carbon nanotubes, exploring the influences of defects, nonmagnetic impurities and external electrical field. 在本论文中,我们采用π电子紧束缚模型下的实空间和k空间格林函数方法,深入研究了缺陷、掺杂和外电场对碳纳米管电导和态密度的调制作用。
A simple single impurity band spin-fermi lattice model is discussed using Monte Carlo simulations. The density of states and optical conductivity are calculated. 本文的第三部分讨论了单杂质能带自旋-费米格点模型,利用MonteCarlo方法计算了系统的态密度和光学电导。
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。
Through the calculations for four representative materials, one-particle eigenvalues, density of states and band gap are analyzed. 通过对四个有代表性的材料的计算,分析了单粒子态本征值、态密度和带隙。
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 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 continued fraction expression for the density of states is obtained by Floquet-Green function approach. 用Floquet-Green函数获得此含时系统态密度的解析连分式表达。
It can be better understood the conductance and the density of states of carbon nanotubes depend on the symmetry and the intensity of the defects tightly, by analysing the impact of the quasi-bound states from the symmetry of the defects for the conductive channels inherently. 分析缺陷对称性以及产生的准束缚态对本征导电通道的影响,可以更好地理解碳纳米管的电导和态密度对缺陷的对称性和强度的依赖关系。
The energy band, geometry parameters, density of states, and cohesive energy of CdSe with zinc blende structure, wurtzite structure, rock-salt structure, and CsCl structure are calculated, respectively. 分别计算了闪锌矿结构,纤锌矿结构,岩盐结构和CsCl结构CdSe的能带、几何参数、电子态密度和内聚能。
The density of states and band structure show that the interface structure affects the electronic structure. 计算得到的态密度和能带图同时表明,界面结构极大的影响着NiO的电子结构。
The density of states at the surface layer atoms have taken place larger changes in the shape and size, but not in the interface layer and the neighboring interface layer compared to that in the bulk system. 与块材中的V原子和Sb原子的态密度相比,表面层原子的态密度在形貌和大小上都发生了较大的变化,但界面层和近邻界面层的原子态密度没有太大变化。
Based on frozen-phonon approach, the phonon dispersions and phonon density of states of the Ni-P compounds were calculated. 基于冻声子方法,本工作计算了Ni-P体系化合物的晶格振动性质,包括声子谱和声子态密度。
The density of states shifted to the high energy. 且态密度向高能方向移动。
Based on the analysis of the density of states, we found the covalent bonding exists between the Mg and Gd atoms which would enhance the strength of alloy. 通过分析电子态密度和电荷密度,发现Mg原子和Y原子之间形成了较强的共价键,这将增加合金强度。
At this condition, we calculate the wurtzite GaN lattice constant, energy band structure, electronic density of states and dielectric function and so on. 我们在该截止动能下,计算了纤锌矿GaN的晶格常数、能带结构、电子态密度和介电函数等。