In Pursuit of 2D Materials for Maximum Optical Response
Abstract
Despite being only a few atoms thick, single-layer two-dimensional (2D) materials display strong electron–photon interactions that could be utilized in efficient light modulators on extreme subwavelength scales. In various applications involving light modulation and manipulation, materials with strong optical response at different wavelengths are required. Using qualitative analytical modeling and first-principles calculations, we determine the theoretical limit of the maximum optical response such as absorbance ($$A$$) and reflectance ($$R$$) in 2D materials and also conduct a computational survey to seek out those with best $$A$$ and $$R$$ in various frequency ranges, from mid-infrared to deep-ultraviolet. We find that 2D boron has broadband reflectance R > 99% for >100 layers, surpassing conventional thin films of bulk metals such as silver. Moreover, we identify 2D monolayer semiconductors with maximum response, for which we obtain quantitative estimates by calculating quasiparticle energies and accounting for excitonic effects by solving the Bethe–Salpeter equation. We found several monolayer semiconductors with absorbances ≳30% in different optical ranges, which are more than half of the maximum possible value, Alim = 1/2, for a freestanding 2D material. Our study predicts 2D materials which can potentially be used in ultrathin reflectors and absorbers for optoelectronic application in various frequency ranges.
- Authors:
-
- Rice Univ., Houston, TX (United States). Dept. of Materials Science and NanoEngineering
- Publication Date:
- Research Org.:
- Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
- Sponsoring Org.:
- USDOE Office of Science (SC)
- OSTI Identifier:
- 1543718
- Resource Type:
- Accepted Manuscript
- Journal Name:
- ACS Nano
- Additional Journal Information:
- Journal Volume: 12; Journal Issue: 11; Journal ID: ISSN 1936-0851
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; Chemistry; Science & Technology - Other Topics; Materials Science
Citation Formats
Gupta, Sunny, Shirodkar, Sharmila N., Kutana, Alex, and Yakobson, Boris I. In Pursuit of 2D Materials for Maximum Optical Response. United States: N. p., 2018.
Web. doi:10.1021/acsnano.8b03754.
Gupta, Sunny, Shirodkar, Sharmila N., Kutana, Alex, & Yakobson, Boris I. In Pursuit of 2D Materials for Maximum Optical Response. United States. https://doi.org/10.1021/acsnano.8b03754
Gupta, Sunny, Shirodkar, Sharmila N., Kutana, Alex, and Yakobson, Boris I. Tue .
"In Pursuit of 2D Materials for Maximum Optical Response". United States. https://doi.org/10.1021/acsnano.8b03754. https://www.osti.gov/servlets/purl/1543718.
@article{osti_1543718,
title = {In Pursuit of 2D Materials for Maximum Optical Response},
author = {Gupta, Sunny and Shirodkar, Sharmila N. and Kutana, Alex and Yakobson, Boris I.},
abstractNote = {Despite being only a few atoms thick, single-layer two-dimensional (2D) materials display strong electron–photon interactions that could be utilized in efficient light modulators on extreme subwavelength scales. In various applications involving light modulation and manipulation, materials with strong optical response at different wavelengths are required. Using qualitative analytical modeling and first-principles calculations, we determine the theoretical limit of the maximum optical response such as absorbance ($A$) and reflectance ($R$) in 2D materials and also conduct a computational survey to seek out those with best $A$ and $R$ in various frequency ranges, from mid-infrared to deep-ultraviolet. We find that 2D boron has broadband reflectance R > 99% for >100 layers, surpassing conventional thin films of bulk metals such as silver. Moreover, we identify 2D monolayer semiconductors with maximum response, for which we obtain quantitative estimates by calculating quasiparticle energies and accounting for excitonic effects by solving the Bethe–Salpeter equation. We found several monolayer semiconductors with absorbances ≳30% in different optical ranges, which are more than half of the maximum possible value, Alim = 1/2, for a freestanding 2D material. Our study predicts 2D materials which can potentially be used in ultrathin reflectors and absorbers for optoelectronic application in various frequency ranges.},
doi = {10.1021/acsnano.8b03754},
journal = {ACS Nano},
number = 11,
volume = 12,
place = {United States},
year = {Tue Sep 18 00:00:00 EDT 2018},
month = {Tue Sep 18 00:00:00 EDT 2018}
}
Web of Science
Figures / Tables:
Works referenced in this record:
Fine Structure Constant Defines Visual Transparency of Graphene
journal, June 2008
- Nair, R. R.; Blake, P.; Grigorenko, A. N.
- Science, Vol. 320, Issue 5881
Extraordinary Room-Temperature Photoluminescence in Triangular WS 2 Monolayers
journal, December 2012
- Gutiérrez, Humberto R.; Perea-López, Nestor; Elías, Ana Laura
- Nano Letters, Vol. 13, Issue 8
Two-dimensional material nanophotonics
journal, November 2014
- Xia, Fengnian; Wang, Han; Xiao, Di
- Nature Photonics, Vol. 8, Issue 12
Photonics and optoelectronics of 2D semiconductor transition metal dichalcogenides
journal, March 2016
- Mak, Kin Fai; Shan, Jie
- Nature Photonics, Vol. 10, Issue 4
Atomically Thin A New Direct-Gap Semiconductor
journal, September 2010
- Mak, Kin Fai; Lee, Changgu; Hone, James
- Physical Review Letters, Vol. 105, Issue 13, Article No.136805
Emerging Photoluminescence in Monolayer MoS2
journal, April 2010
- Splendiani, Andrea; Sun, Liang; Zhang, Yuanbo
- Nano Letters, Vol. 10, Issue 4, p. 1271-1275
Photoluminescence from Chemically Exfoliated MoS2
journal, December 2011
- Eda, Goki; Yamaguchi, Hisato; Voiry, Damien
- Nano Letters, Vol. 11, Issue 12, p. 5111-5116
Fundamentals of Semiconductors
book, January 2010
- Yu, Peter Y.; Cardona, Manuel
- Graduate Texts in Physics
Low-dimensional systems: quantum size effects and electronic properties of semiconductor microcrystallites (zero-dimensional systems) and some quasi-two-dimensional systems
journal, April 1993
- Yoffe, A. D.
- Advances in Physics, Vol. 42, Issue 2
Optical modulators with 2D layered materials
journal, March 2016
- Sun, Zhipei; Martinez, Amos; Wang, Feng
- Nature Photonics, Vol. 10, Issue 4
Emerging Device Applications for Semiconducting Two-Dimensional Transition Metal Dichalcogenides
journal, January 2014
- Jariwala, Deep; Sangwan, Vinod K.; Lauhon, Lincoln J.
- ACS Nano, Vol. 8, Issue 2
Electronics based on two-dimensional materials
journal, October 2014
- Fiori, Gianluca; Bonaccorso, Francesco; Iannaccone, Giuseppe
- Nature Nanotechnology, Vol. 9, Issue 10
Monolayer MoS2 Heterojunction Solar Cells
journal, July 2014
- Tsai, Meng-Lin; Su, Sheng-Han; Chang, Jan-Kai
- ACS Nano, Vol. 8, Issue 8, p. 8317-8322
Science and technology roadmap for graphene, related two-dimensional crystals, and hybrid systems
journal, January 2015
- Ferrari, Andrea C.; Bonaccorso, Francesco; Fal'ko, Vladimir
- Nanoscale, Vol. 7, Issue 11
Single-Layer MoS2 Phototransistors
journal, December 2011
- Yin, Zongyou; Li, Hai; Li, Hong
- ACS Nano, Vol. 6, Issue 1, p. 74-80
Graphene, related two-dimensional crystals, and hybrid systems for energy conversion and storage
journal, January 2015
- Bonaccorso, Francesco; Colombo, Luigi; Yu, Guihua
- Science, Vol. 347, Issue 6217
Strong light–matter coupling in two-dimensional atomic crystals
journal, December 2014
- Liu, Xiaoze; Galfsky, Tal; Sun, Zheng
- Nature Photonics, Vol. 9, Issue 1
Polyphony in B flat
journal, April 2016
- Zhang, Zhuhua; Penev, Evgeni S.; Yakobson, Boris I.
- Nature Chemistry, Vol. 8, Issue 6
Synthesis of borophenes: Anisotropic, two-dimensional boron polymorphs
journal, December 2015
- Mannix, A. J.; Zhou, X. -F.; Kiraly, B.
- Science, Vol. 350, Issue 6267
Experimental realization of two-dimensional boron sheets
journal, March 2016
- Feng, Baojie; Zhang, Jin; Zhong, Qing
- Nature Chemistry, Vol. 8, Issue 6
Polymorphism of Two-Dimensional Boron
journal, April 2012
- Penev, Evgeni S.; Bhowmick, Somnath; Sadrzadeh, Arta
- Nano Letters, Vol. 12, Issue 5
Can Two-Dimensional Boron Superconduct?
journal, March 2016
- Penev, Evgeni S.; Kutana, Alex; Yakobson, Boris I.
- Nano Letters, Vol. 16, Issue 4
Broadband graphene terahertz modulators enabled by intraband transitions
journal, January 2012
- Sensale-Rodriguez, Berardi; Yan, Rusen; Kelly, Michelle M.
- Nature Communications, Vol. 3, Issue 1
Transfer matrix method for optics in graphene layers
journal, April 2013
- Zhan, Tianrong; Shi, Xi; Dai, Yunyun
- Journal of Physics: Condensed Matter, Vol. 25, Issue 21
Calculating photonic band structure
journal, February 1996
- Pendry, J. B.
- Journal of Physics: Condensed Matter, Vol. 8, Issue 9
General transfer-matrix method for optical multilayer systems with coherent, partially coherent, and incoherent interference
journal, January 2002
- Katsidis, Charalambos C.; Siapkas, Dimitrios I.
- Applied Optics, Vol. 41, Issue 19
Two-dimensional models for the optical response of thin films
journal, March 2018
- Li, Yilei; Heinz, Tony F.
- 2D Materials, Vol. 5, Issue 2
Optical Spectrum of : Many-Body Effects and Diversity of Exciton States
journal, November 2013
- Qiu, Diana Y.; da Jornada, Felipe H.; Louie, Steven G.
- Physical Review Letters, Vol. 111, Issue 21
Measurement of the optical dielectric function of monolayer transition-metal dichalcogenides: , , , and
journal, November 2014
- Li, Yilei; Chernikov, Alexey; Zhang, Xian
- Physical Review B, Vol. 90, Issue 20
Direct and Indirect Interlayer Excitons in a van der Waals Heterostructure of hBN/WS 2 /MoS 2 /hBN
journal, February 2018
- Okada, Mitsuhiro; Kutana, Alex; Kureishi, Yusuke
- ACS Nano, Vol. 12, Issue 3
Franck Condon shift assessment in 2D MoS 2
journal, February 2018
- Gupta, Sunny; Shirodkar, Sharmila N.; Kaplan, Daniel
- Journal of Physics: Condensed Matter, Vol. 30, Issue 9
Optical properties of two-dimensional honeycomb crystals graphene, silicene, germanene, and tinene from first principles
journal, October 2014
- Matthes, L.; Pulci, O.; Bechstedt, F.
- New Journal of Physics, Vol. 16, Issue 10
Electronic and optical properties of pristine and oxidized borophene
journal, October 2016
- Lherbier, Aurélien; Botello-Méndez, Andrés Rafael; Charlier, Jean-Christophe
- 2D Materials, Vol. 3, Issue 4
A library of atomically thin metal chalcogenides
journal, April 2018
- Zhou, Jiadong; Lin, Junhao; Huang, Xiangwei
- Nature, Vol. 556, Issue 7701
Temperature-dependent excitonic effects in the optical properties of single-layer
journal, April 2016
- Molina-Sánchez, Alejandro; Palummo, Maurizia; Marini, Andrea
- Physical Review B, Vol. 93, Issue 15
Excitonic Linewidth Approaching the Homogeneous Limit in -Based van der Waals Heterostructures
journal, May 2017
- Cadiz, F.; Courtade, E.; Robert, C.
- Physical Review X, Vol. 7, Issue 2
Large Excitonic Reflectivity of Monolayer Encapsulated in Hexagonal Boron Nitride
journal, January 2018
- Scuri, Giovanni; Zhou, You; High, Alexander A.
- Physical Review Letters, Vol. 120, Issue 3
Exciton radiative lifetime in transition metal dichalcogenide monolayers
journal, May 2016
- Robert, C.; Lagarde, D.; Cadiz, F.
- Physical Review B, Vol. 93, Issue 20
Ultralight Angstrom-Scale Optimal Optical Reflectors
journal, November 2017
- Papadakis, Georgia T.; Narang, Prineha; Sundararaman, Ravishankar
- ACS Photonics, Vol. 5, Issue 2
Strong Light-Matter Interactions in Heterostructures of Atomically Thin Films
journal, May 2013
- Britnell, L.; Ribeiro, R. M.; Eckmann, A.
- Science, Vol. 340, Issue 6138
2D materials and van der Waals heterostructures
journal, July 2016
- Novoselov, K. S.; Mishchenko, A.; Carvalho, A.
- Science, Vol. 353, Issue 6298
Highly Efficient and Air-Stable Infrared Photodetector Based on 2D Layered Graphene–Black Phosphorus Heterostructure
journal, October 2017
- Liu, Yan; Shivananju, Bannur Nanjunda; Wang, Yusheng
- ACS Applied Materials & Interfaces, Vol. 9, Issue 41
Direct Chemical Vapor Deposition Growth of WS 2 Atomic Layers on Hexagonal Boron Nitride
journal, July 2014
- Okada, Mitsuhiro; Sawazaki, Takumi; Watanabe, Kenji
- ACS Nano, Vol. 8, Issue 8
Optical properties of monolayer transition metal dichalcogenides probed by spectroscopic ellipsometry
journal, November 2014
- Liu, Hsiang-Lin; Shen, Chih-Chiang; Su, Sheng-Han
- Applied Physics Letters, Vol. 105, Issue 20
Linear optical properties in the projector-augmented wave methodology
journal, January 2006
- Gajdoš, M.; Hummer, K.; Kresse, G.
- Physical Review B, Vol. 73, Issue 4
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
journal, June 2010
- Enkovaara, J.; Rostgaard, C.; Mortensen, J. J.
- Journal of Physics: Condensed Matter, Vol. 22, Issue 25
Dielectric Genome of van der Waals Heterostructures
journal, June 2015
- Andersen, Kirsten; Latini, Simone; Thygesen, Kristian S.
- Nano Letters, Vol. 15, Issue 7
Computational 2D Materials Database: Electronic Structure of Transition-Metal Dichalcogenides and Oxides
journal, June 2015
- Rasmussen, Filip A.; Thygesen, Kristian S.
- The Journal of Physical Chemistry C, Vol. 119, Issue 23
Works referencing / citing this record:
An emerging Janus MoSeTe material for potential applications in optoelectronic devices
journal, January 2019
- Yang, Xiaoyong; Singh, Deobrat; Xu, Zhitong
- Journal of Materials Chemistry C, Vol. 7, Issue 39
Nonlinear excitonic spin Hall effect in monolayer transition metal dichalcogenides
journal, October 2019
- Taghizadeh, A.; Pedersen, T. G.
- 2D Materials, Vol. 7, Issue 1
Electronic properties of several two dimensional halides from ab initio calculations
journal, January 2019
- Barhoumi, Mohamed; Abboud, Ali; Debbichi, Lamjed
- Beilstein Journal of Nanotechnology, Vol. 10
Activated layered magnetism from bulk TiN
journal, December 2019
- Lin, Chiung-Yuan; Yang, Szu-Wen; Ou, Keng-Liang
- Physical Review Materials, Vol. 3, Issue 12
Unveiling optical in-plane anisotropy of 2D materials from oblique incidence of light
journal, May 2019
- Oliva-Leyva, M.; de la Cruz, G. Gonzalez
- Journal of Physics: Condensed Matter, Vol. 31, Issue 33
Nonlocal dielectric function and nested dark excitons in MoS2
journal, November 2019
- Koitzsch, Andreas; Pawlik, Anna-Sophie; Habenicht, Carsten
- npj 2D Materials and Applications, Vol. 3, Issue 1
Nonlinear excitonic spin Hall effect in monolayer transition metal dichalcogenides
preprint, January 2018
- Taghizadeh, Alireza; Pedersen, T. G.
- arXiv
Electronic properties of several two dimensional halides from ab initio calculations
journal, January 2019
- Barhoumi, Mohamed; Abboud, Ali; Debbichi, Lamjed
- Beilstein Journal of Nanotechnology, Vol. 10
Figures / Tables found in this record: