二维二元碳化硅纳米结构的等离激元激发

doi:10.19596/j.cnki.1001-246x.7905

计算物理 ›› 2019, Vol. 36 ›› Issue (5): 603-609.DOI: 10.19596/j.cnki.1001-246x.7905

二维二元碳化硅纳米结构的等离激元激发

尹海峰¹, 曾春花², 陈文经²

1. 凯里学院大数据工程学院, 贵州凯里 556011;
2. 凯里学院理学院, 贵州凯里 556011

收稿日期:2018-06-01 修回日期:2018-11-08 出版日期:2019-09-25 发布日期:2019-09-25
作者简介:尹海峰(1982-),男,教授,主要从事低维材料的光电性质研究,E-mail:yinhaifeng1212@126.com
基金资助:
国家自然科学基金（11464023）及贵州省教育厅创新群体重大研究项目（黔教合KY字[2018]035）资助

Plasmon Excitations in Two-dimensional Binary Silicon Carbide Nanostructures

YIN Haifeng¹, ZENG Chunhua², CHEN Wenjing²

1. College of Big Data Engineering, Kaili University, Kaili Guizhou 556011, China;
2. College of Science, Kaili University, Kaili Guizhou 556011, China

Received:2018-06-01 Revised:2018-11-08 Online:2019-09-25 Published:2019-09-25

摘要/Abstract

摘要： 基于含时密度泛函理论，研究两种构型的二维二元碳化硅（SiC）纳米结构的等离激元激发.SiC纳米结构有两个等离激元共振带.由于键长的改变，相对于硅烯纳米结构和石墨烯纳米结构，SiC纳米结构的两个等离激元共振带分别发生蓝移和红移.一种SiC纳米结构的等离激元共振激发依赖于边界的构型和纳米结构形貌；另一种SiC纳米结构的等离激元共振激发对于边界构型和纳米结构形貌的依赖性降低.沿不同方向激发时，等离激元共振特性基本相同.

关键词: 等离激元, 二维二元碳化硅, 含时密度泛函理论

Abstract: Plasmon excitations in two-dimensional binary silicon carbide (SiC) nanostructures are investigated with time-dependent density functional theory. SiC nanostructures have two plasmon resonance bands. Compared with silicene nanostructures and graphene nanostructures, due to change of bond length, two plasmon resonance bands of SiC nanostructures are blue-shifted and red-shifted, respectively. Plasmon resonance excitations of one kind SiC nanostructures depend on edge configuration and nanostructure morphology. However, for another kind of SiC nanostructure, dependence on edge configuration and nanostructure morphology decreases. Plasmon resonance properties of this kind SiC nanostructure are basically the same for impulse excitation polarized in different directions.

Key words: plasmon, two-dimensional binary silicon carbide, time-dependent density functional theory

中图分类号:

O469

尹海峰, 曾春花, 陈文经. 二维二元碳化硅纳米结构的等离激元激发[J]. 计算物理, 2019, 36(5): 603-609.

YIN Haifeng, ZENG Chunhua, CHEN Wenjing. Plasmon Excitations in Two-dimensional Binary Silicon Carbide Nanostructures[J]. CHINESE JOURNAL OF COMPUTATIONAL PHYSICS, 2019, 36(5): 603-609.

参考文献

[1] NOVOSELOV K S, GEIM A K, MOROZOV S, et al. Electric field effect in atomically thin carbon films[J]. Science, 2004, 306(5696):666-669.
[2] 高尚鹏, 祝桐. 基于自洽GW方法的碳化硅准粒子能带结构计算[J]. 物理学报, 2012, 61(13):137101.
[3] MA J, LI K, ZHOU B, et al. Defect location effect on tensile behavior of graphene[J]. Chinese Journal of Computational Physics, 2018, 35(4):475-480.
[4] ZOU J, YE Z, CAO B. Effects of potential models on thermal properties of graphene in molecular dynamics simulations[J]. Chinese Journal of Computational Physics, 2017, 34(2):221-229.
[5] TANG Q, ZHEN T, LI D, et al. Mechanical properties of graphene/hydroxyapatite composite materials numerical study[J].Chinese Journal of Computationnal Physics, 2018, 35(1):71-76.
[6] LIN S S. Light-emitting two-dimensional ultrathin silicon carbide[J]. J Phys Chem C, 2012, 116(6):3951-3955.
[7] WANG Y P, CHENG H P. Absence of a Dirac cone in silicene on Ag (111):First-principles density functional calculations with a modified effective band structure technique[J]. Phys Rev B, 2013, 87:245430.
[8] FENG B, DING Z J, MENG S, et al. Evidence of silicene in honeycomb structures of silicon on Ag (111)[J]. Nano Lett, 2012, 12(7):3507-3511.
[9] CAHANGIROV S, TOPSAKAL M,AKTURK E, et al. Two- and one-dimensional honeycomb structures of silicon and germanium[J]. Phys Rev Lett, 2009, 102:236804.
[10] ZHOU H M, LIN X, GUO H M, et al. Ab initio electronic transport study of two-dimensional silicon carbide-based p-n junctions[J]. Chinese Institute of Electronics, 2017, 38(3):033002.
[11] CHEN X P, JIANG J K, LIANG Q H, et al. Tunable electronic structure and enhanced optical properties in quasi-metallic hydrogenated/fluorinated SiC heterobilayer[J]. J Mater Chem C, 2016, 4:7406.
[12] QIN X, LIU Y, LI X, et al. Origin of Dirac cones in SiC silagraphene:A combined density functional and tight-binding study[J]. J Phys Chem Lett, 2015, 6(8):1333-1339.
[13] WANG H W, WU M S, LEI X L, et al. Siligraphene as a promising anode material for lithium-ion batteries predicted from first-principles calculations[J]. Nano Energy, 2018, 49:67-76.
[14] DELAVARI N, JAFARI M. Electronic and optical properties of hydrogenated silicon carbide nanosheets:A DFT study[J].Solid State Communications, 2018, 275:1-7.
[15] TONG L M, XU H X. Surface plasmons-mechanisms, applications and perspective[J]. Physics, 2012, 41(9):582-588.
[16] WANG Z L, CHEN Z, TANG C. Surface plasmons and magnetic surface plasmons[J]. Physics, 2012, 41(9):648-654.
[17] FANF Z Y, ZHU X. Focusing, waveguiding and resonance enhancement characteristics of surface plasmon polaritons[J]. Physics, 2011, 40(9):594-600.
[18] YIN H F, ZENG C H. Plasmon resonances in sodium clusters with triangle structure[J]. Chinese Journal of Computational Physics, 2014, 31(6):713-718.
[19] YIN H F, ZHANG H, CHENG X L. Plasmon resonances and the plasmon-induced field enhancement in nanoring dimers[J]. J Appl Phys, 2013, 113113107.
[20] JAVIER GARCIA DE ABAJO F. Graphene nanophotonics[J]. Science, 2013, 339(6122):917-918.
[21] YIN H F, XIANG G Z, YUE L, et al. Plasmon excitation in silicene quantum dots[J]. Acta Phys-Chim Sin, 2015, 31(1):67-72.
[22] MOHAN B, KUMAR A, AHLUWALIA P K. A first principle calculation of electronic and dielectric properties of electrically gated low-buckled mono and bilayer silicene[J]. Physica E, 2013, 53:233-239.
[23] YU Y, JU Z H, ZU S, et al. Ultrafast plasmonic hot electron transfer in Au nanoantenna/MoS₂ heterostructures[J]. Adv Funct Mater, 2016, 26:6394-6401.
[24] MARQEES M, CASTRO A, BERTSCH G F, et al. Octopus:A first-principles tool for excited electronion dynamics[J]. Comput Phys Commun, 2003,151(1):60-78.

二维二元碳化硅纳米结构的等离激元激发

Plasmon Excitations in Two-dimensional Binary Silicon Carbide Nanostructures

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