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.
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.
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.
电子能带结构计算表明sc - C20为宽带隙(4.20eV)半导体型碳，并且随着压力升高带隙呈现增大的趋势，sc - C20带隙的大小及变化规律与金刚石相似。
Electronic band structure calculations show that sc-C20 is a semiconductor with wide band gap of 4.20 eV, and the gap increase with pressure, similar to that of diamond.
用EHT紧束缚能带计算方法，研究了四元合金的电子结构。
The electronic structure of a quaternary alloy has been investigated using EHT band calculation method.
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.
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.
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.
黄金及其合金是历史悠久的饰品材料，金合金的颜色本质是电子的能带跃迁，因此可以通过合金化与能带结构变化的关系来了解颜色变化的机制。
Gold and it's alloy have a long history of being used as a kind of jewelry materials. The inbeing of the color is the electron transition in energy band.
电子波干涉法是一种新的量子阱探测器能带结构计算方法，该方法是基于电子波在量子阱界面的反射和干涉效应提出的。
This method is based on the reflectance and interference effects of electron wave at interfaces between the wells and the barriers.
通过对电子结构的分析，发现铅没有宏观磁矩表现，电子能带在费米面处存在相交，说明铅具有强的金属性。
It is shown that lead has no macro magnetic moment. The electron energy bands intersect with Fermi-Face, suggesting that lead has a quality of strong metal.
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.
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。
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.
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.
用紧束缚能带计算方法(EHT)研究了标题多元合金的能带及电子结构。
The electronic structure of a quaternary alloy has been investigated using EHT band calculation method.
由于电子结构的差异而形成的ABA三嵌段链的量子阱能带构型图 Fig。
Schematic illustration of quantum-well formation in ABA tri-block chain due to electronic structure differences.
目前尚未见有类似的报道，我们分析认为这是由于管束存在管间相互作用，电子的束缚度减小，改变了原来的能带结构，导致能隙减小。
The analysis indicates that the intertube coupling causes the energy gaps to decrease for the electrons in the rope are less conf…
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.
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.
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