Method for constructing two-dimensional schottky heterojunction model based on germanene

Abstract

The invention discloses a method for constructing a two-dimensional schottky heterojunction model based on germanene. The method comprises the following steps: establishing a WSe2 bulk material model;establishing a Germanene model; carrying out crystal face uniform cutting on the WSe2 body material model to obtain a single-layer WSe2, and carrying out crystal face uniform cutting on the Germanenemodel to obtain a Germanene thin layer; establishing a supercell of Germanene according to the Germanene thin layer, establishing a supercell of WSe2 according to the single-layer WSe2, and vertically superposing the supercell of Germanene on the supercell of WSe2 to obtain a Germanene / WSe2 heterojunction model. Germanene is vertically stacked on single-layer tungsten diselenide for the first time, and lattice parameters, energy band structures, thermodynamic stability, electron effective mass and the like of supercells are calculated.

Description

technical field [0001] The invention belongs to the technical field of two-dimensional heterojunction theoretical modeling, and in particular relates to a construction method of a germanene-based two-dimensional Schottky heterojunction model. Background technique [0002] Two-dimensional transition metal dichalcogenides (2D-TMDs), phosphorene, silicene, and germanene are new types of graphene-like materials that have emerged in recent years. This unique two-dimensional structure can combine excellent electrical, Magnetic and optical properties combine with macroscopic ultrathinness, transparency, and flexibility to enable miniaturized devices. However, there are certain limitations in the application of a single two-dimensional material. For example, the photoelectric conversion efficiency of a single-layer tungsten diselenide solar cell is only 0.5%, which makes it difficult to be used in solar devices alone. Germanene has a zero band gap and will change its properties as ...

AI Technical Summary

Problems solved by technology

However, there are certain limitations in the application of a single two-dimensional material. For example, the photoelectric conversion efficiency of a single-layer tungsten diselenide solar cell is only 0.5%, which is difficult to be used in solar devices alone.

Germanene has a zero band gap and will change its properties as the temperature increases, resulting in the destruction of germanene-based transistors up to several hundred degrees Celsius, which limits its application in the field of optoelectronics

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