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Updated: Sep 2, 2025

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
The generalized method to calculate the real-space winding number for one-dimensional systems with complex
Yu Zhang1,2,3, Langlang Xiong1,3, Xunya Jiang1,2,3
1Engineering Research Center of Advanced Lighting Technology, Ministry of Education, Fudan University, Shanghai 200433, People's Republic of China.
Abstract:
The topological study of the complicated one-dimensional (1D) systems with multi-band-gap structures, including quasi-crystals (QCs), is very hard since the lack of effective topological invariants to describe the non-triviality of gaps. A generalized method, based on the contracted wave-function, is proposed in this work to calculate the real-space winding number for the complicated 1D systems with multi-band-gap structures. First, the effectiveness of the generalized method is demonstrated to obtain the quantized real-space winding number for the gaps and correctly predict the topological phase transition and the existing fractional charge on the edges for the periodic 4-atoms SSH model (4A-SSH model). Then, we apply the generalized method to more complicated 1D Thue-Morse (TM) systems, which is one kind of QCs. The quantized real-space winding number is obtained for two traditional gaps and two fractal gaps for the TM systems and can also correctly predict the existence of topological edge-states and fractional charge on the ends. Several new phenomena are observed, e.g. the topological phase transition and the edge-states for the gaps in multi-band-gap structures, the1/4fractional charge for the 4A-SSH model, the fluctuation of local charge and the asymmetric (but still with a quantized difference) fractional charge at the ends of TM system. The generalized method could be a powerful tool to study the topology of gaps in the complicated periodic systems or QCs.
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