光散射学报, 2017, 29 (4): 325, 网络出版: 2018-01-10
单层磷化硼纳米结构中的量子等离激元激发
Quantum Plasmons in Single-Layer Boron Phosphide Nanostructures
等离激元 单层 磷化硼纳米结构 含时间密度泛函理论 plasmon single-layer boron phosphide nanostructures time dependent density functional theory
摘要
基于含时密度泛函理论(TDDFT)研究了单层磷化硼纳米结构中的等离激元激发。单层磷化硼纳米结构中有两个主要的等离激元共振带,一个等离激元共振带位于能量点3 eV附近,另一个等离激元共振带位于能量点9 eV附近。单层磷化硼纳米结构在光谱的可见光区存在等离激元共振。单层磷化硼纳米结构的边界构型(锯齿形边界和扶手椅边界)以及沿着激发光的偏振方向的边界宽度对单层磷化硼纳米结构吸收光谱有很大的影响。单层磷化硼纳米结构中等离激元模式是长程电荷转移激发。
Abstract
Plasmons in single-layer Boron phosphide(BP) nanostructures is studied on the basis of time-dependent density functional theory(TDDFT).There are two plasmon bands in the single-layer BP nanostructures,one around 3 eV and the other around 9 eV,and the strong plasmon resonances in the visible region of the spectrum of the single-layer BP nanostructures is obstained.The edge configuration(the armchair-edge and the zigzag-edge) and the boundary width along the direction of impulse excitation polarizes plays an important role in the absorption spectrum of the single-layer BP nanostructures.The plasmon resonance mode is a long-range charge transfer excitation in the single-layer BP nanostructures.
徐阳, 林家和, 程新路. 单层磷化硼纳米结构中的量子等离激元激发[J]. 光散射学报, 2017, 29(4): 325. XU Yang, LIN Jiahe, CHENG Xinlu. Quantum Plasmons in Single-Layer Boron Phosphide Nanostructures[J]. The Journal of Light Scattering, 2017, 29(4): 325.