Two-dimensional material heterojunction and performance analysis method and application thereof

Abstract

The invention provides a two-dimensional material heterojunction and a performance analysis method thereof, and application of the heterojunction in semiconductor and photoelectric energy conversion.The two-dimensional material heterojunction comprises a first two-dimensional material and a second two-dimensional material, wherein the first two-dimensional material comprises a Janus two-dimensional material; and the second two-dimensional material comprises silylene; and the first two-dimensional material and the second two-dimensional material are longitudinally stacked. According to the heterojunction provided by the invention, the excellent performance of different materials can be utilized; the defect of a single two-dimensional material can be overcome, and the band gap of silylene is opened through the interaction of the Janus two-dimensional material and the silylene, so that the energy spectrum distribution of the two-dimensional material is obviously changed relative to the respective independent properties of the two components forming the two-dimensional material. According to the performance analysis method of the heterojunction, electron energy loss spectrum analysisis carried out based on the time-containing density functional theory and random phase approximation, the steps are simple, operation is easy, and a rapid analysis approach and powerful support are provided for heterojunction design with band gap opening as the purpose.

Description

technical field [0001] The invention relates to a two-dimensional material and a simulation analysis method for material performance, and more specifically, relates to a heterojunction composed of two-dimensional materials and its performance analysis method and application. Background technique [0002] In the IC industry, as the size of devices becomes smaller and smaller, traditional silicon-based semiconductors are gradually approaching the physical limit of the material itself. Silicon-based microelectronics technology is increasingly challenged by factors such as short channel effects, quantum tunneling effects, and power loss. It is necessary to find a next-generation semiconductor material that can replace silicon. [0003] With the discovery of graphene in 2004, a wave of research on two-dimensional materials began. Materials such as graphene and silicene have excellent physical properties, such as ultra-high carrier mobility, single atomic layer thickness, and ult...

AI Technical Summary

Problems solved by technology

However, the prior art has not yet found a satisfactory solution to the problem of opening the bandgap of silicene

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