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文中对计算电子结构的集团Bethe晶格方法进行了改进。简化了原子集团的选取方式,提出了求解复数Dyson方程组的矩阵解方法和平均集团Bethe晶格方法。研究了Penrose tiling的局部、整体和平均电子状态密度。发现了Penrose tiling的局部电子状态密度对准周期点阵的长程有序性特别敏感的性质。提出了计算Penrose tiling局部及整体电子状态密度应遵循的原则.得出了某些合金的准晶相可能是电子化合物的结论。
In this paper, the group Bethe lattice method for calculating the electronic structure is improved. Which simplifies the selection of atomic groups and proposes a matrix solution method and an average group Bethe lattice method for solving complex Dyson equations. The local, global, and average electron state densities of Penrose tiling were studied. It was found that the local electronic state density of Penrose tiling is particularly sensitive to the long-range orderliness of the periodic lattice. Proposed to calculate the local and overall Penrose tiling electronic state density should follow the principle. It is concluded that the quasicrystalline phases of some alloys may be electronic compounds.