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物理学报. 1982, 31(4): 474-484.
doi: 10.7498/aps.31.474.
层状超薄共格结构(LUCS)电子态的紧束缚计算
- 收稿日期: 1981-07-13
- 刊出日期: 2005-07-27
摘要: 本文就一种简单的模型,在紧束缚近似下,只计及最近邻之间的矩阵元,用格林函数方法计算了新近出现的人工材料——层状超薄共格结构——电子能带的亚结构,和投影于各层原子平面的电子局域态密度,在附录中,我们表述了用丸盒轨道(MTO)和界面平面波轨道(IPWO)的线性组合,更精密地计算电子结构的方法。
English Abstract
A TIGHT-BINDING CALCULATION OF ELECTRONIC STATES OF LAYERED ULTRA-THIN COHERENT STRUCTURES
- Received Date:
13 July 1981
- Published Online:
27 July 2005
Abstract: The present article gives an account of a calculation of the sub-band structure and atomic plane projected electronic local densities of states of a simplified model of the newly appeared synthetic materials, Layered Ultra-thin Coherent Structures (LUCS), by means of the Green's function method in the tight-binding approximation including the nearest neighbor matrix elements only. A formulation of a more accurate method for the same purpose in terms of linear combinations of muffin-tin orbitals and interface plane wave orbitals is given in the appendix.
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