Kaur Sumandeep, Pandey Ravindra, Karna Shashi P
Department of Physics, Michigan Technological University, Houghton, Michigan 49931, United States.
DEVCOM Army Research Laboratory, Weapons, and Materials Research Directorate, ATTN: FCDD-RLW, Aberdeen Proving Ground, Aberdeen, Maryland 21005-5069, United States.
ACS Omega. 2023 Feb 28;8(10):9614-9620. doi: 10.1021/acsomega.3c00232. eCollection 2023 Mar 14.
The substrate-induced effects on the polarizability (α) and first dipole hyperpolarizability (β) of group-IV (i.e., graphene, silicene, germanene, stanene) and group-V (i.e., phosphorene, arsenene, antimonene, and bismuthene) elemental monolayer nanoflakes are investigated. Density functional theory calculations show that these monolayers are bound with varying degrees of interaction strength with the Ag(111) substrate surface. Calculated dipole moment and β values are zero for the centrosymmetric configurations of the pristine elemental monolayers. On the other hand, substrate-induced changes in the electronic densities at the interface lead to substantially enhanced values of β, making these materials attractive for applications in the next-generation photonic technologies at the nanoscale.
研究了衬底对第IV族（即石墨烯、硅烯、锗烯、锡烯）和第V族（即磷烯、砷烯、锑烯和铋烯）元素单层纳米片的极化率（α）和第一偶极超极化率（β）的影响。密度泛函理论计算表明，这些单层与Ag(111)衬底表面以不同程度的相互作用强度结合。对于原始元素单层的中心对称构型，计算得到的偶极矩和β值为零。另一方面，界面处电子密度的衬底诱导变化导致β值大幅增强，使这些材料在下一代纳米级光子技术应用中具有吸引力。
