论文标题
TMDC/石墨烯异质结构的光学特性的首个主要研究
First Principle Study for Optical Properties of TMDC/Graphene Heterostructures
论文作者
论文摘要
The transition-metal dichalcogenide (TMDC) in the family of $\mathrm{MX}_2$ ($\mathrm{M}=\mathrm{Mo},\mathrm{W}$; $\mathrm{X}=\mathrm{S},\mathrm{Se}$) and the graphene monolayer are原子上的半导体和半学。单层$ \ mathrm {mx} _2 $被发现是电子和光电应用应用的新类别半导体。由于两种材料的六边形晶格结构，$ \ mathrm {mx} _2 $和石墨烯通常相互结合以制造范德华异质结构。在这里，根据密度功能理论（DFT）对$ \ mathrm {MX} _2/\ Mathrm {Gr} $异构结构进行了研究。计算了四个不同的$ \ mathrm {mx} _2/\ mathrm {gr} $异构结构的电子结构和光学特性。我们从系统地将这些$ \ mathrm {mx} _2/\ mathrm {gr} $异构结构进行比较，以便其复杂的介电常数，吸收系数，反射率和折射率。
The transition-metal dichalcogenide (TMDC) in the family of $\mathrm{MX}_2$ ($\mathrm{M}=\mathrm{Mo},\mathrm{W}$; $\mathrm{X}=\mathrm{S},\mathrm{Se}$) and the graphene monolayer are atomically thin semiconductors and semimetal, respectively. The monolayer $\mathrm{MX}_2$ have been discovered as a new class of semiconductors for electronics and optoelectronics applications. Because of the hexagonal lattice structure of both the materials, $\mathrm{MX}_2$ and graphene are often combined with each other to make van der Waals heterostructures. Here, the $\mathrm{MX}_2/\mathrm{Gr}$ heterostructures are investigated theoretically based on the Density Functional Theory (DFT). The electronic structure and the optical properties of four different $\mathrm{MX}_2/\mathrm{Gr}$ heterostructures are computed. We systematically compare these $\mathrm{MX}_2/\mathrm{Gr}$ heterostructures for their complex permittivity, absorption coefficient, reflectivity and refractive index.
