tight-binding相关论文
An easy and efficient way to treat Green’s function for nano-devices with arbitrary shapes and multi
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,Dirac states from px,y orbitals in the buckled honeycomb structures:A tight-binding model and first
Dirac states composed of px,y orbitals have been reported in many two-dimensional (2D) systems with honeycomb lattices r......
在考虑曲率效应对扶手椅型碳纳米管（SWNT）最近邻碳原子交叠积分影响的情况下，利用紧束缚模型和玻恩-卡门边界条件解析地推导扶手椅型S......
摘要：根据紧束缚模型理论，研究了AA堆叠与AB堆叠的双层扶手型石墨烯纳米带和少层扶手椅型石墨烯纳米带的能带结构，并相应地给出了解析......
石墨烯纳米带并不是一个完全平整的结构，而是一个准平面结构．为了研究非平整对石墨烯纳米带电子结构的影响，利用紧束缚方法和轨道杂化......
以二维方形紧约束格子为模型，研究载子在纳米晶格中的输运动力学揭示了纳米颗粒的表面原子形貌对载子在颗粒中的局域与扩展有重要的......
We have carried out computer atomistic simulations, based on an efficient density functional based tight binding method,......
In order to promote our understanding on electronic structure of actinide dioxides, we construct a tight-binding model c......
The synthesis and the catalysis in the HDS of DBT reaction of nanostructured self-supported catalyst containing MoS2+x n......
Based on the tight-binding approach and the nonequilibrium Green’s function method,the thermoelectric performance of gr......
In this paper we investigate the influence of the next-nearest-neighbor coupling on the spectrum of plasmon excitations ......
