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论文摘要

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

作者:舒晓琴(四川大学原子与分子研究所;乐山师范学院物理与电子工程学院;);张红(四川大学原子与分子物理研究所;四川大学高能量密度物理及技术教育部重点实验室)

Author:SHU Xiao-Qin(Institute of Atomic and Molecular Physics, Sichuan University; School of Physics and Electronic Engineering, Leshan Normal University);ZHANG Hong(Institute of Atomic and Molecular Physics, Sichuan University;Key Laboratory of High Energy Density Physics and Technology of Ministry of Education, Sichuan University)

收稿日期:2016-05-27          年卷(期)页码:2018,55(1):0125-0128

期刊名称:四川大学学报: 自然科学版

Journal Name:Journal of Sichuan University (Natural Science Edition)

关键字:锑烯;纳米结构;表面等离激元;含时密度泛函理论;吸收光谱

Key words:Antimonene; nanostrcture; surrface plasmon; time-dependent density functional theory (TDDFT)

基金项目:国家自然科学基金

中文摘要

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0.9?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)。

英文摘要

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.

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