金属纳米结构和分子的耦合体系中电荷转移对其光学响应的调控研究

项目名称： 金属纳米结构和分子的耦合体系中电荷转移对其光学响应的调控研究

项目编号： No.11504398

项目类型： 青年科学基金项目

立项/批准年度： 2016

项目学科： 数理科学和化学

项目作者： 李晓光

作者单位： 深圳大学

项目金额： 21万元

中文摘要： 金属纳米结构和分子的耦合体系是实现各种纳米光电子学器件的理想载体。这类体系的光学响应受到由金属等离激元和分子激子两类重要的元激发相互作用的调制。而在强耦合情况下，可能出现的电荷转移对于等离激元和分子的耦合有着至关重要的影响。本项目结合我们前期在等离激元光子学中通过第一性原理和有效哈密顿量分析的研究，围绕电荷转移对耦合体系光学响应的影响展开深入的理论研究。我们将采用基于密度泛函理论的第一性原理计算来确定电荷转移发生的空间及时间尺度及其对耦合系统电子态的影响；通过建立基于二次量子化的有效哈密顿量来定性讨论电荷转移发生时系统光吸收谱的共振频率位移以及非线性等响应特征；在此基础上，再结合量子尺度的计算通过对金属等离激元的共振频率和寿命的比较和筛选，实现对耦合体系光学响应的有效操控。本项目的实施将对此类耦合体系在纳米光电子学器件中的应用打下坚实的物理基础，并拓展其应用前景。

中文关键词： 等离激元；激子；法诺效应；拉比劈裂

英文摘要： The coupled metal-nanostructure and molecular system is the idea system to build up many optoelectronic devices at nanoscale. The optical response of this type of systems is strongly affected by the coupling between the metal plasmons and molecular excitons. Within the strong coupling regime, the change transfer plays a vital role on this coupling. In this project, based on our previous studies in the plasmonics with both the first-principles calculations and the effective Hamiltonians analysis, we propose to carry out a systematic study for the effect of the charge transfer on the characteristic optical response of the systems. We will adopt the first-principles calculation to find the scale for the charge transfer to happen and the corresponding electronic state of the system; We will build up an effective Hamiltonian to describe the coupling system, and qualitatively discuss the effect of the charge transfer on the peak position of the resonances and nonlinear response of the systems; Based on those understandings, we will further study the possibility to control the optical response of the systems by tuning the energy and lifetime of the plasmons. Successful execution of the proposed research will enrich our fundamental understanding for coupled systems, and will also expand the application prospects of the relevant materials.

英文关键词： Plasmon;exciton;Fano effect;Rabi splitting