适当的组分材料显示出相似的电子能带结构。
Suitable component materials exhibit similar electronic band structures.
并用近似方法计算了非理想堆积的能带结构。
The energy band structures of non-ideal stack structure were calculated approx.
这是一个计算能带结构的软件，也是很不错的。
This is a calculated band structure of the software is also very good.
计算了C60团簇的能带结构和电子几率密度。
The band structure and the electronic probability density of C60 cluster are calculated.
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 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 densities of accessible final states for calculations of multi—step compound reactions are derived.
随后介绍了常用的有机发光材料与其能带结构和发光机制。
In common use organic light-emitting materials and their energy band structure expression method are described.
通过分析这种光子晶体的能带结构，显示其存在部分带隙。
Band structure of the photonic crystals shows that there exists a partial bandgap.
用EHMACC方法计算了酞菁铜本征态和碘掺杂态的能带结构。
The energy band structures of nickel phthalocyanine instrinctive state and iodine doped state were calculated by the EHMACC method.
用EHMO/CO方法对过渡金属酞菁化合物的能带结构进行了研究。
The energy band structures were studied with the method of EHMO/CO for transition metal phthalocyanines.
电磁波束的聚焦和弯曲是通过分析能带结构和等频图加以说明和解释的。
The beam focusing and bending are understood and explained through analyzing the photonic band structure and the isofrequency (IF) curves.
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.
将光纤布拉格光栅近似为一维光子晶体，研究光栅的能带结构和光学传输特性。
The band structure and the transmission properties of the fiber Bragg grating are investigated in the scope of the photonic crystal.
最后利用同步辐射角分辨光电子能谱观察到了清晰的能带结构以及准粒子峰迹象。
And also by using the Synchrotron Radiation ARPES the band structure and the evidence of quasi-particle peak can be clearly observed.
对于平衡晶格常数、体模量、结合能和能带结构的计算结果与从头算赝势方法较接近；
The calculation results for the lattice constant, bulk modulus, cohesive and electronic band structure agree with that results of ah initio pseudpotential method.
研究发现可以通过改变均聚物的尺度、配比或界面耦合强度对共聚物能带结构加以调制。
It is found that varying the scales, ratios and the intensity of interfacial couplings of the components, may modulate the structures of energy levels of copolymers.
在简单能带结构情况下，我们讨论了电离能与原子性质的关系，及由浅能级向深能级的转化。
In the case of simple band structure, the influence of atomic character on the ionization energy, and the relation between the shallow and the deep levels were discussed.
密立根布居分析、周期性结构中态密度与能带结构，以及分子轨道的关系在文中被广泛应用。
Mulliken population analysis, the relations among the DOS, the band structure and molecule orbital were widely used in the dissertation.
论文首先提出了一种具有更高灵活性的三维光子晶体结构，并分析了其能带结构和缺陷模特性。
First, we propose and analyze a novel 3-dimensional photonic-crystal which is capable of further exploring the design flexibility of any band-gap structure.
用密度泛函理论计算了氧分子物理吸附在半导体型单壁碳纳米管的束缚能，能带结构和吸收光谱。
The binding energy, energy band structure and optical properties of the oxygen physical adsorption on semiconducting single-wall carbon nanotube are studied by the density functional theory.
同时，还发现用钯修饰氧化锌不仅可以调节其能带结构，而且还影响了氧化锌上表面羟基的含量。
It is found that the modification of palladium not only modulates the electronic structure of ZnO but also affects the amount of surface hydroxyl.
通过量子化学计算、亲固能计算以及能带结构分析等方法探讨了焦性没食子酸对硫化矿物的抑制机理。
The mechanism of pyrogallic acid depressing sulphide minerals has been discussed by means of HMO calculation, interaction energy and energy band structure.
首先分析了应变硅形成机理、能带结构变化、空穴态密度有效质量，进而分析了空穴迁移率增强机理。
The formation mechanism, energy band, hole density-of-state effective mass of strained si have been analyzed first., then hole mobility enhancement mechanism is analyzed.
由于石墨烯纳米带在实际应用中需要不同的带隙，我们讨论了石墨烯纳米带在形变条件下的电子能带结构。
We discuss the electronic structures of the deformed graphene nanoribbons, because we need the different energy gap when we put the graphene nanoribbons into the application.
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。
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.
能带结构的存在将影响以该系统为基础的量子逻辑操作和激光边带冷却等问题，应该在实验研究中加以考虑。
The band structure can influence the laser cooling of Paul trapped ions and the quantum logic operation based on the system that should be considered in the corresponding experiments thereby.
略去自旋轨道耦合效应，在标量相对论近似下本文提出了一个近似的、相对论格林函数电子能带结构计算法。
In this paper, a Scalar Eelativiatic Green's Function method (SRA-KKR) neglecting spin-orbit coupling effect has been proposed for the energy band calculation.
光子晶体由于能够产生与半导体能带结构类似的光子禁带，成为了国内外光通信和光学器件方面研究的热点。
Photonic crystals(PCs) has the properties of photonic band-gap(PBG) which is similar with semiconductor, because of this, it is a hotspot in optical communication and optical device.
光子晶体由于能够产生与半导体能带结构类似的光子禁带，成为了国内外光通信和光学器件方面研究的热点。
Photonic crystals(PCs) has the properties of photonic band-gap(PBG) which is similar with semiconductor, because of this, it is a hotspot in optical communication and optical device.
应用推荐