Abstract
In this paper, using the density functional theory framework with the FP-LAPW + lo method by GGA approximation, the electronic and optical properties such as band structure, density of states, dielectric function, energy loss function, absorption and reflection have been investigated for borophene nano-sheet. The optical properties of the borophene have been changed as the incident light direction whereas has the metallic and semiconductor behavior, in the borophene sheet and perpendicular light angles, respectively. Therefore, it can be said that the optical properties of this material are anisotropic.
Highlights
After discovery of graphene, researches have been carried out to discover two-dimensional allotropes of other elements
The total and partial densities of states of borophene composition are shown in Figs. 2 and 3
The density of states indicates the number of allowed states per unit of energy, and it can be used to express the orbital contribution of the participating atoms
Summary
Researches have been carried out to discover two-dimensional allotropes of other elements. They investigated the metallic and semiconductor properties and the energy gap of different structures by studying the densities of states and band structures. The density functional theory is used to study the electronic and optical properties of borophene nano sheet with the Pmmm space group.
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