Time-dependent first-principles study of optical response of BaTiO3 quantum dots coupled with silver nanowires

doi:10.1088/1674-1056/28/6/067301

中国物理B ›› 2019, Vol. 28 ›› Issue (6): 67301-067301.doi: 10.1088/1674-1056/28/6/067301

• CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES • 上一篇下一篇

Time-dependent first-principles study of optical response of BaTiO₃ quantum dots coupled with silver nanowires

Bo-Xun Han(韩博逊), Hong Zhang(张红)

1 College of Physical Science and Technology, Sichuan University, Chengdu 610065, China;
2 Key Laboratory of High Energy Density Physics and Technology(Ministry of Education), Sichuan University, Chengdu 610065, China

收稿日期:2019-01-14 修回日期:2019-03-29 出版日期:2019-06-05 发布日期:2019-06-05
通讯作者: Hong Zhang E-mail:hongzhang@scu.edu.cn
基金资助:
Project support by the National Key Research and Development Program of China (Grant No. 2017YFA0303600) and the National Natural Science Foundation of China (Grant No. 11474207).

Time-dependent first-principles study of optical response of BaTiO₃ quantum dots coupled with silver nanowires

Bo-Xun Han(韩博逊)¹, Hong Zhang(张红)^1,2

1 College of Physical Science and Technology, Sichuan University, Chengdu 610065, China;
2 Key Laboratory of High Energy Density Physics and Technology(Ministry of Education), Sichuan University, Chengdu 610065, China

Received:2019-01-14 Revised:2019-03-29 Online:2019-06-05 Published:2019-06-05
Contact: Hong Zhang E-mail:hongzhang@scu.edu.cn
Supported by:
Project support by the National Key Research and Development Program of China (Grant No. 2017YFA0303600) and the National Natural Science Foundation of China (Grant No. 11474207).

摘要/Abstract

摘要：

All-inorganic perovskite quantum dots (QDs) have drawn much attention due to their prominent quantum-size effects and highly tunable optical properties. Tuning the size of perovskite QDs is attractive for many potential applications. For instance, smaller QDs exhibit more evident quantum properties than larger QDs, but present a blue-shifted spectrum, which limits their applications. Here, we conduct a systematically theoretical analysis about the optical response and plasmon resonance of comparatively small barium titanate quantum dots (BTO-QDs) coupled with silver (Ag) nanowires based on time-dependent density functional theory (TDDFT). Our results show that the silver nanowires can induce an intense optical response respectively in the infrared and visible region to eliminate the spectrum-shift. Furthermore, the absorption spectrum and plasmon resonance can be effectively modified by either altering the position of the silver nanowires or changing the thickness of the BTO-QDs. More importantly, these two methods can act simultaneously, this maybe provide a new approach to implementing the quantum control.

关键词: perovskite, QDs, TDDFT, plasmon resonance

Abstract:

Key words: perovskite, QDs, TDDFT, plasmon resonance

中图分类号: (Collective excitations (including excitons, polarons, plasmons and other charge-density excitations))

73.20.Mf

73.21.-b (Electron states and collective excitations in multilayers, quantum wells, mesoscopic, and nanoscale systems)

韩博逊, 张红. Time-dependent first-principles study of optical response of BaTiO₃ quantum dots coupled with silver nanowires[J]. 中国物理B, 2019, 28(6): 67301-067301.

Bo-Xun Han(韩博逊), Hong Zhang(张红). Time-dependent first-principles study of optical response of BaTiO₃ quantum dots coupled with silver nanowires[J]. Chin. Phys. B, 2019, 28(6): 67301-067301.

参考文献 38

[1]	Maeda K, Teramura K, Lu D, Takata T, Saito N, Inoue Y and Domen K 2006 Nature 440 295 doi: 10.1038/440295a
[2]	L Michael M, Joël T, Tsutomu M, M Takurou N and S Henry J 2012 Science 338 643 doi: 10.1126/science.1228604
[3]	Julian B, Norman P, Soo-Jin M, Robin H B, Peng G, Nazeeruddin M K and Michael G T 2013 Nature 499 316 doi: 10.1038/nature12340
[4]	Ilya G, Vincent W D, Maria T, Gaoyang G, Stein D M, Liyan W, Guannan C, Gallo E M, Akbashev A R and Davies P K 2013 Nature 503 509 doi: 10.1038/nature12622
[5]	Yang F, Lin S, Yang L, Liao J, Chen Y and Wang C Z 2017 Mater. Res. Bull. 96
[6]	Chen S and Shi G 2017 Adv. Mater. 29 1605448 doi: 10.1002/adma.201605448
[7]	Li G, Tan Z K, Di D, Lai M L, Jiang L, Lim J H, Friend R H and Greenham N C 2015 Nano Lett. 15 2640 doi: 10.1021/acs.nanolett.5b00235
[8]	Nechache R, Harnagea C, Li S, Cardenas L, Huang W, Chakrabartty J and Rosei F 2015 Nat. Photon. 9 61 doi: 10.1038/nphoton.2014.255
[9]	Wang F, Grinberg I, Jiang L, Young S M, Davies P K and Rappe A M 2015 Ferroelectrics 483 1 doi: 10.1080/00150193.2015.1058096
[10]	Wang F, Young S M, Zheng F, Grinberg I and Rappe A M 2016 Nat. Commun. 7 10419 doi: 10.1038/ncomms10419
[11]	Wan D Y, Zhao Y L, Cai Y, Asmara T C, Huang Z, Chen J Q, Hong J, Yin S M, Nelson C T, Motapothula M R, Yan B X, Xiang D, Chi X, Zheng H, Chen W, Xu R, Ariando, Rusydi A, Minor A M, Breese M B H, Sherburne M, Asta M, Xu Q H and Venkatesan T 2017 Nat. Commun. 8 15070 doi: 10.1038/ncomms15070
[12]	Zhu T, Trevisanutto P E, Asmara T C, Xu L, Feng Y P and Rusydi A 2018 Phys. Rev. B 98 235115 doi: 10.1103/PhysRevB.98.235115
[13]	Khaledinasab A and Sabaeian M 2012 Appl. Opt. 51 4176 doi: 10.1364/AO.51.004176
[14]	Khaledi-Nasab A, Sabaeian M, Sahrai M and Fallahi V 2014 J. Opt. 16 055004 doi: 10.1088/2040-8978/16/5/055004
[15]	And C B M, Kagan C R and Bawendi M G 2003 Ann. Rev. Mater. Sci. 30 545
[16]	Ramírez H Y, Flórez J and Camacho S 2015 Phys. Chem. Chem. Phys. 17 23938 doi: 10.1039/C5CP03349G
[17]	Coe-Sullivan S, Steckel J S, Woo W K, Bawendi M G and Bulović V 2005 Adv. Funct. Mater. 15 1117 doi: 10.1002/adfm.200400468
[18]	Xu S, Dadlani A L, Acharya S, Schindler P and Prinz F B 2016 Appl. Surf. Sci. 367 500 doi: 10.1016/j.apsusc.2016.01.243
[19]	Gorbachev I A, Goryacheva I Y and Glukhovskoy E G 2016 Bionanoscience 6 1 doi: 10.1007/s12668-015-0186-5
[20]	Lin J H, Zhang H, Zhang B F, Zhao J, Miyamoto Y and Cheng X L 2018 J. Phys. Chem. C 122 19992 doi: 10.1021/acs.jpcc.8b05616
[21]	Song J, Li J, Li X, Xu L, Dong Y and Zeng H 2015 Adv. Mater. 27 7162 doi: 10.1002/adma.201502567
[22]	Jeong-Hyeok I, Chang-Ryul L, Jin-Wook L, Sang-Won P and Nam-Gyu P 2011 Nanoscale 3 4088 doi: 10.1039/c1nr10867k
[23]	Zhang J R, Bai D L, Jin Z W, Bian H, Wang K, Sun J, Wang Q and Liu S Z 2018 Adv. Energy Mater. 8 9
[24]	Fons R, Osterkryger A D, Stepanov P, Gautier E, Bleuse J, Gerard J M, Gregersen N and Claudon J 2018 Nano Lett. 18 6434 doi: 10.1021/acs.nanolett.8b02826
[25]	Leschkies K S, Divakar R, Basu J, Enache-Pommer E, Boercker J E, Carter C B, Kortshagen U R, Norris D J and Aydil E S 2007 Nano Lett. 7 1793 doi: 10.1021/nl070430o
[26]	Mokkapati S, Beck F J, Waele R D, Polman A and Catchpole K R 2011 J. Phys. D: Appl. Phys. 44 185101 doi: 10.1088/0022-3727/44/18/185101
[27]	Stubhan T, Krantz J, Li N, Guo F, Litzov I, Steidl M, Richter M, Matt G J and Brabec C J 2012 Sol. Energy Mater. Sol. Cells 107 248 doi: 10.1016/j.solmat.2012.06.039
[28]	Marques M A L, Castro A, Bertsch G F and Rubio A 2003 Comput. Phys. Commun. 151 60 doi: 10.1016/S0010-4655(02)00686-0
[29]	Hartwigsen C, Goedecker S and Hutter J K 1998 Phys. Rev. B 58 3641 doi: 10.1103/PhysRevB.58.3641
[30]	Delin A, Fast L, Johansson B, Eriksson O and Wills J M 1998 Phys. Rev. B 58 4345
[31]	Hermann and Raphaël P 1997 J. Phys. A: Math. Gen. 30 3967 doi: 10.1088/0305-4470/30/11/023
[32]	Lu C, Nakajima N and Maruyama H 2017 J. Phys.-Condens. Matter 29 045702 doi: 10.1088/1361-648X/29/4/045702
[33]	Cupo A and Meunier V 2017 J. Phys.-Condens. Matter 29 283001 doi: 10.1088/1361-648X/aa748c
[34]	Li X, Zhao J and Yang J 2013 Sci. Rep. 3 1858 doi: 10.1038/srep01858
[35]	Matsuzawa N, Ishitani A, Dixon D A and Uda T 2001 J. Phys. Chem. A 105 4953 doi: 10.1021/jp003937v
[36]	Zhan C G, Dixon D A, Matsuzawa N N, Ishitani A and Uda T 2003 J. Fluor. Chem. 122 27 doi: 10.1016/S0022-1139(03)00077-0
[37]	Yang T C, Wei L J, Yao W C, Tso L P, Wen L T and Tsung L P 2012 Nano Lett. 12 1648 doi: 10.1021/nl300012m
[38]	Miller D A B, Chemla D S, Damen T C, Gossard A C, Wiegmann W, Wood T H and Burrus C A 1984 Phys. Rev. Lett. 53 2173 doi: 10.1103/PhysRevLett.53.2173

Time-dependent first-principles study of optical response of BaTiO₃ quantum dots coupled with silver nanowires

Time-dependent first-principles study of optical response of BaTiO₃ quantum dots coupled with silver nanowires

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