Excitonic optical properties in monolayer SnP2S6

doi:10.1088/1674-1056/ad73b5

中国物理B ›› 2024, Vol. 33 ›› Issue (10): 107105-107105.doi: 10.1088/1674-1056/ad73b5

Excitonic optical properties in monolayer SnP₂S₆

Peng-Yuan Chen(陈鹏远), Zhen Quan(权真), and Shu-Dong Wang(王舒东)†

School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, China

收稿日期:2024-07-18 修回日期:2024-08-20 接受日期:2024-08-27 出版日期:2024-10-15 发布日期:2024-10-15
通讯作者: Shu-Dong Wang E-mail:sdwang@imu.edu.cn
基金资助:
Project support by the National Natural Science Foundation of China (Grant No. 12064032).

Excitonic optical properties in monolayer SnP₂S₆

Peng-Yuan Chen(陈鹏远), Zhen Quan(权真), and Shu-Dong Wang(王舒东)†

School of Physical Science and Technology, Inner Mongolia University, Hohhot 010021, China

Received:2024-07-18 Revised:2024-08-20 Accepted:2024-08-27 Online:2024-10-15 Published:2024-10-15
Contact: Shu-Dong Wang E-mail:sdwang@imu.edu.cn
Supported by:
Project support by the National Natural Science Foundation of China (Grant No. 12064032).

摘要/Abstract

摘要： Quantum confinement effect and reduced dielectric screening in two-dimensional (2D) dramatically enhance the electron-hole interactions. In this work, we use many-body perturbation theory and Bethe-Salpeter equation (BSE) to investigate the electronic and excitonic optical properties of monolayer SnP$_{2}$S$_{6}$. Our findings reveal that the excitonic effect dominates the optical absorption spectra in the visible light range, and the lowest-energy exciton $X_{0}$ in monolayer SnP$_{2}$S$_{6}$ is optically bright with the binding energy of 0.87 eV and the radiative lifetime of $\sim 10^{-11}$ s, which is highly advantageous to the photo-luminescence. Most importantly, the absence of optically forbidden states below the bright states $X_{0}$ would give rise to a high quantum efficiency of 2D SnP$_{2}$S$_{6}$. We also find that applied biaxial strain can further shorten the radiative lifetime of the bright states. These results imply that 2D SnP$_{2}$S$_{6}$ is a promising candidate for the optoelectronic devices.

关键词: excitons, radiative lifetime, SnP$_{2}$S$_{6}$

Abstract: Quantum confinement effect and reduced dielectric screening in two-dimensional (2D) dramatically enhance the electron-hole interactions. In this work, we use many-body perturbation theory and Bethe-Salpeter equation (BSE) to investigate the electronic and excitonic optical properties of monolayer SnP$_{2}$S$_{6}$. Our findings reveal that the excitonic effect dominates the optical absorption spectra in the visible light range, and the lowest-energy exciton $X_{0}$ in monolayer SnP$_{2}$S$_{6}$ is optically bright with the binding energy of 0.87 eV and the radiative lifetime of $\sim 10^{-11}$ s, which is highly advantageous to the photo-luminescence. Most importantly, the absence of optically forbidden states below the bright states $X_{0}$ would give rise to a high quantum efficiency of 2D SnP$_{2}$S$_{6}$. We also find that applied biaxial strain can further shorten the radiative lifetime of the bright states. These results imply that 2D SnP$_{2}$S$_{6}$ is a promising candidate for the optoelectronic devices.

Key words: excitons, radiative lifetime, SnP$_{2}$S$_{6}$

中图分类号: (Excitons and related phenomena)

71.35.-y

71.35.Cc (Intrinsic properties of excitons; optical absorption spectra) 31.15.ag (Excitation energies and lifetimes; oscillator strengths) 73.43.Cd (Theory and modeling)

Peng-Yuan Chen(陈鹏远), Zhen Quan(权真), and Shu-Dong Wang(王舒东). Excitonic optical properties in monolayer SnP₂S₆[J]. 中国物理B, 2024, 33(10): 107105-107105.

Peng-Yuan Chen(陈鹏远), Zhen Quan(权真), and Shu-Dong Wang(王舒东). Excitonic optical properties in monolayer SnP₂S₆[J]. Chin. Phys. B, 2024, 33(10): 107105-107105.

参考文献

[1] Novoselov K S, Geim A K, Morozov S V, Jiang D, Zhang Y, Dubonos S V, Grigorieva I V and Firsov A A 2004 Nature 306 666
[2] Chernikov A, Berkelbach T C, Hill H M, Rigosi A, Li Y, Aslan B, Reichman D R, Hybertsen M S and Heinz T F 2018 Phys. Rev. Lett. 113 076802
[3] Qiu D Y, da Jornada F H and Louie S G 2016 Phys. Rev. B 93 235435
[4] Wang G, Chernikov A, Glazov M M and Heinz T F 2018 Rev. Mod. Phys. 90 021001
[5] Manzeli S, Ovchinnikov D, Pasquier D, Yazyev O V and Kis A 2017 Nat. Rev. Mater. 2 17033
[6] Schaibley J R, et al. 2016 Nat. Rev. Mater. 1 16055
[7] Wang Z, et al. 2019 Nature 574 76
[8] Andrei E Y, et al. 2021 Nat. Rev. Mater. 6 201
[9] Zhang X, Zhao Z, Wu D, Jing Y and Zhou Z 2016 Adv. Sci. 3 1600062
[10] Chittari B L, Park Y, Lee D, Han M, Macdonald A H, Hwang E and Jung J 2016 Phys. Rev. B 94 184428
[11] Lee J U, Lee S, Ryoo J H, Kang S, Kim T Y, Kim P, Park C H, Park J G and Cheong H 2016 Nano Lett. 16 7433
[12] Wang Z, Willett R D, Laitinen R A and Cleary D A 1995 Chem. Mater. 7 856
[13] Zhang Y, Wang F, Feng X, Sun Z, Su J, Zhao M, Wang S, Hu X and Zhai T 2022 Nano Res. 15 2391
[14] Zhang Y, Wang F, Feng X, Zheng Z, Liu K, Xia F, Liang W, Hu X, Ma Y, Li H, Xing G and Zhai T 2022 Adv. Funct. Mater. 32 2205757
[15] He J, Lee S H, Naccarato F, Brunin G, Zu R, Wang Y, Miao L, Wang H, Alem N, Hautier G, Rignanese G M, Mao Z and Gopalan V 2022 ACS Photon. 9 1724
[16] RushchanskiiK Z, Vysochanskii Y M, Cajipe V B and Bourdon X 2006 Phy. Rev. B 73 115115
[17] Shchennikov V V, Morozova N V, Tyagur I, Tyagur Y and Ovsyannikov S V 2011 Appl. Phys. Lett. 99 212104
[18] Karaca E and Errandonea D 2024 Results in Physics 57 107330
[19] Lin M, Liu P, Wu M, Cheng Y, Liu H, Cho K, Wang W H and Lu F 2019 Appl. Surf. Sci. 493 1334
[20] Jing Y, Zhou Z, Zhang J, Huang C, Li Y and Wang F 2019 Phys. Chem. Chem. Phys. 21 21064
[21] Hattori Y, Taniguchi T, Watanabe K and Nagashio K 2015 ACS Nano 9 916
[22] Hu J, Zheng A, Pan E, Chen J, Bian R, Li J, Liu Q, Cao G, Meng P, Jian X, Molnar A, Vysochanskii Y and Liu F 2022 J. Mater. Chem. C 10 13753
[23] Hedin L 1965 Phys. Rev. 139 A796
[24] Albrecht S, Reining L, Del Sole R and Onida G 1998 Phys. Rev. Lett. 80 4510
[25] Rohlfing M and Louie S G 2000 Phys. Rev. B 62 4927
[26] Giannozzi P, Andreussi O, Brumme T, Bunau O, Buongiorno Nardelli M, Calandra M, Car R, Cavazzoni C, Ceresoli D, Cococcioni M, et al. 2017 J. Phys.: Condens. Matter 29 465901
[27] Giannozzi P, Baroni S, Bonini N, Calandra M, Car R, Cavazzoni C, Ceresoli D, Chiarotti G L, Cococcioni M, Dabo I, et al. 2009 J. Phys.: Condens. Matter 21 395502
[28] Perdew J P, Burke K and Ernzerhof M 1996 Phys. Rev. Lett. 77 3865
[29] Hamann D R 2013 Phys. Rev. B 88 85117
[30] van Setten M J, Giantomassi M, Bousquet E, Verstraete M J, Hamann D R, Gonze X and Rignanese G M 2018 Comput. Phys. Commun. 226 39
[31] Godby R W and Needs R J 1989 Phys. Rev. Lett. 62 1169
[32] Bruneval F and Gonze X 2008 Phys. Rev. B 78 085125
[33] Marini A, Hogan C, Grüning M and Varsano D 2009 Comput. Phys. Commun. 180 1392
[34] Sangalli D, Ferretti A, Miranda H, Attaccalite C, Marri I, Cannuccia E, Melo P, Marsili M, Paleari F, Marrazzo A, et al. 2019 J. Phys.: Condens. Matter 31 325902
[35] Palummo M, Bernardi M and Grossman J C 2015 Nano Lett. 15 2794
[36] Chen H Y, Jhalani V A, Palummo M and Bernardi M 2019 Phys. Rev. B 100 075135
[37] Yun W S, Han S W, Hong S C, Kim I G and Lee J D 2012 Phys. Rev. B 85 033305
[38] Song W and Yang L 2017 Phys. Rev. B 96 235441

Excitonic optical properties in monolayer SnP₂S₆

Excitonic optical properties in monolayer SnP₂S₆

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