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基于Tan Bo模型的石墨烯非厄米紧束缚能带:应变效应与Bernal双层扩展

Non-Hermitian Tight-Binding Bands in Graphene: Optical Conductivity, Strain Effects, and Bernal Bilayer Extension

Maolin Bo, Yaorui Tan, Sunxin Fan, Xiang Chen, Yunhu Zhu, Zhongkai Huang, Chuang Yao

arXiv 2607.05470首次发表:更新:

AI 中文总结

研究基于Tan Bo模型探讨石墨烯非厄米紧束缚能带,通过特定变换对跃迁能量参数化,比较不同尺度,开发相关模型与方案,为含电子相关效应的非厄米化学计算提供基准和参考。

AI 中文摘要

在石墨烯π电子最近邻的紧束缚框架内,Tan Bo模型通过莫比乌斯变换结合指数衰减,根据键长和键角对跃迁能量t(dr)进行参数化。各向同性、几何各向异性和Slater Koster尺度之间的比较表明,B = 0等同于SK方案,L(B)在Bopt = 0时达到最优。厄米组装在K点维持狄拉克锥。本研究开发的Tan Bo几何相关跃迁模型和非厄米TB组装方案,为未来在石墨烯系统中纳入电子相关效应的非厄米化学计算提供了可重复的单粒子基准和参数化参考。

英文摘要

Within the tight binding framework of graphenes π electron nearest neighbors, the Tan Bo model parametrizes transition energies t(dr) based on bond lengths and angles via the Mobius transformation combined with exponential decay. Comparisons between isotropic , geometrically anisotropic , and Slater Koster scales reveal that B = 0 is equivalent to the SK scheme, with L(B) reaching its optimum at Bopt = 0. The Hermitian assembly maintains the Dirac cone at the K point.The Tan Bo geometry dependent transition model and non Hermitian TB assembly scheme developed in this study provide a reproducible single particle benchmark and parameterization reference for future non Hermitian chemical calculations incorporating electron correlation effects in graphene systems.

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