This article adopts a first principles calculation method based on density functional theory to comprehensively analyze the regulatory effect of element B on the electronic properties and optical behavior of AlN materials.Research has revealed that the band structure of AlN modified by B element splits,thereby endowing the two-dimensional AlN system with 1 μB magnetism.Furthermore,from the optical properties,it can be inferred that,The two-dimensional AlN modified with B exhibits a redshift in light absorption characteristics,which expands its spectral absorption range in photocatalytic reactions and opens up new application avenues for two-dimensional AlN materials in visible light optoelectronic technology.
关键词
二维A1N/第一性原理/电子结构
Key words
two dimension AlN/first principles/electronic structure
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