锑烯纳米结构等离激元的第一性原理研究

Plasmons in Antimonene Nanostructure: First Principles Study

摘要:

利用含时密度泛函理论（time-dependent density functional theory (TDDFT)），研究了锑烯纳米结构表面等离激元的激发特性，并给出了微扰场沿着扶手椅边界和Z字边界激发的时候，锑烯纳米结构的吸收光谱。结果表明沿不同的方向激发，吸收光谱不同。分析距锑烯纳米结构表面0.9Å处的能量共振点的电荷密度分布表明，在低能共振区，等离激元共振属于键合二聚体的等离激元模式（BDP）。

Abstract:

The excitation characteristics of surface plamons of the antimonene nanostructure was studied by time-dependent density functional theory (TDDFT). The absorption spectra were given for impulse excitations polarized in the armchair-edge direction (X-axis) and zigzag-edge direction (Y-axis). The edge configuration effects the absorption spectrum. The distribution of indued charge infers thethe main plasmon resonance modes are the bonding dimer plasmon mode(BDP) in the low-energy resonance region.