研究目的
Investigating the effects of a perpendicular electric field on the electronic structures of monolayer InSe, focusing on the indirect-direct-indirect band gap transition and semiconductor-metal transformation.
研究成果
The study demonstrates that a perpendicular electric field can induce indirect-direct-indirect band gap transition in monolayer InSe, along with a semiconductor-metal transformation. These findings enhance understanding of electronic properties in layered group III-VI semiconductors and offer insights for designing optoelectronic devices.
研究不足
The study is theoretical and computational, relying on models and simulations. Experimental validation is needed to confirm the findings. The focus is on monolayer InSe, and the results may not directly apply to other materials or configurations.
1：Experimental Design and Method Selection:
The study employs a tight-binding model Hamiltonian to investigate the electronic structures of monolayer InSe under a perpendicular electric field. The methodology includes transforming the Hamiltonian into k space and diagonalizing it to obtain energy bands and eigenvector coefficients.
2：Sample Selection and Data Sources:
The study uses theoretical models and parameters fitted by density functional theory data with scissor correction for monolayer InSe.
3：List of Experimental Equipment and Materials:
The study is computational, focusing on theoretical models and simulations without physical equipment.
4：Experimental Procedures and Operational Workflow:
The process involves applying a perpendicular electric field to the monolayer InSe, modifying on-site orbital energies, and analyzing the resulting changes in energy bands and orbital contributions.
5：Data Analysis Methods:
The analysis includes examining the evolution of band edges and orbital decomposition for energy bands to understand the mechanisms behind the observed transitions.
独家科研数据包，助您复现前沿成果，加速创新突破
获取完整内容
