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

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字边界激发时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.距锑烯纳米结构表面0.9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).

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 the main plasmon resonance modes are the bonding dimer plasmon mode（BDP） in the low-energy resonance re- gion.