In this manuscript, we have investigated the electronic and optical properties of Stanene and hexagonal Boron Nitride (Sn/h-BN) heterostructure using the Projected Augmented Wave (PAW) method within the framework of density functional theory (DFT). van der Waals forces are also considered to counter the inter-layer interactions between Sn and h-BN. The significant band gap opening has been observed in Sn/h-BN heterostructure compared to pristine Stanene (Sn). However, the band gap is much lesser than the Boron Nitride (h-BN). In order to use the proposed structure in futuristic opto-electronic devices, we have investigated the various optical parameters such as absorption coefficient, refractive index, extinction coefficient, reflectivity and dielectric constant of Sn/h-BN heterostructure along with monolayer Stanene and hexagonal Boron Nitride. As a significant finding of the results, a strong redshift has been observed in the absorption coefficient, extinction coefficient and reflectivity, also a strong absorption peak appears in ultra-violet region. The excellent optical properties of heterostructure make it viable for potential optical applications.

在本手稿中，我们在密度泛函理论 (DFT) 的框架内使用投影增强波 (PAW) 方法研究了 Stanene 和六方氮化硼 (Sn/h-BN) 异质结构的电子和光学性质。范德华力也被认为可以抵消 Sn 和 h-BN 之间的层间相互作用。与原始 Stanene (Sn) 相比，在 Sn/h-BN 异质结构中观察到显着的带隙开口。然而，带隙比氮化硼 (h-BN) 小得多。为了在未来的光电器件中使用所提出的结构，我们研究了 Sn/h-BN 异质结构以及单层 Stanene 和六方硼的各种光学参数，如吸收系数、折射率、消光系数、反射率和介电常数。氮化物。作为结果的一个重要发现，在吸收系数、消光系数和反射率方面都观察到了强烈的红移，并且在紫外区也出现了一个强烈的吸收峰。异质结构优异的光学特性使其适用于潜在的光学应用。