In this thesis, we attempt a new method, the statistical supercell method, to calculate the electronic structure of a mixed crystal.
在本论文中，我们尝试用一种全新的计算方法——统计超原胞法来计算混晶的电子结构。
For imperfect crystals with point defects, the cluster method and the supercell simulation are two methods in common use.
对含有点缺陷的不完整晶体，通常使用原子簇方法或超原胞模拟计算方法。
We have investigated the guide modes in two kinds of two_dimensional photonic crystal heterostructures by using the plane wave expansion method combined with the supercell technique.
利用平面波展开方法与超原胞方法研究了两种不同晶格的光子晶体异质结的界面态。
Based on the supercell overlapping method the full vector model was adopted to model polarization properties of elliptical-hole photonic crystal fiber (EHPCF) with central defect hole.
基于超格子构造法，采用全矢量模型研究具有中心缺陷孔的椭圆孔光子晶体光纤(EHPCF)的偏振特性。
The optical properties and electrical structure of V in ZnS supercell have been computed by means of plane wave pseudo-potential method(PWP) with generalized gradient approximation(GGA).
运用密度泛函平面波赝势方法（PWP）和广义梯度近似（GGA），对替代式掺杂钒（V）的闪锌矿（ZnS）的超晶胞电子结构进行了计算。
The optical properties and electrical structure of V in ZnS supercell have been computed by means of plane wave pseudo-potential method(PWP) with generalized gradient approximation(GGA).
运用密度泛函平面波赝势方法（PWP）和广义梯度近似（GGA），对替代式掺杂钒（V）的闪锌矿（ZnS）的超晶胞电子结构进行了计算。
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