Theory and Ab Initio Calculation of Optically Excited States—Recent Advances in 2D Materials

Xie, Kaichen; Li, Xiaosong; Cao, Ting

doi:10.1002/adma.201904306

Title: Theory and Ab Initio Calculation of Optically Excited States—Recent Advances in 2D Materials

Authors:

Xie, Kaichen ^[1]; Li, Xiaosong ^[2];

^[1]

Department of Materials Science and EngineeringUniversity of Washington Seattle WA 98195 USA
Department of Materials Science and EngineeringUniversity of Washington Seattle WA 98195 USA, Department of ChemistryUniversity of Washington Seattle WA 98195 USA

Publication Date:: Fri Dec 06 00:00:00 EST 2019

Sponsoring Org.:: USDOE

OSTI Identifier:: 1577413

Grant/Contract Number:: DE‐SC0006863

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Advanced Materials

Additional Journal Information:: Journal Name: Advanced Materials; Journal ID: ISSN 0935-9648

Publisher:: Wiley Blackwell (John Wiley & Sons)

Country of Publication:: Germany

Language:: English

Citation Formats


                    Xie, Kaichen, Li, Xiaosong, and Cao, Ting. Theory and Ab Initio Calculation of Optically Excited States—Recent Advances in 2D Materials.  Germany: N. p., 2019. 
Web.  doi:10.1002/adma.201904306.

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                    Xie, Kaichen, Li, Xiaosong, & Cao, Ting. Theory and Ab Initio Calculation of Optically Excited States—Recent Advances in 2D Materials.  Germany.  https://doi.org/10.1002/adma.201904306

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                    Xie, Kaichen, Li, Xiaosong, and Cao, Ting. Fri .  
"Theory and Ab Initio Calculation of Optically Excited States—Recent Advances in 2D Materials".  Germany.  https://doi.org/10.1002/adma.201904306.

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@article{osti_1577413,

  title        = {Theory and Ab Initio Calculation of Optically Excited States—Recent Advances in 2D Materials},

  author       = {Xie, Kaichen and Li, Xiaosong and Cao, Ting},

  abstractNote = {},

  doi          = {10.1002/adma.201904306},

  journal      = {Advanced Materials},

  number       = ,

  volume       = ,

  place        = {Germany},

  year         = {Fri Dec 06 00:00:00 EST 2019},

  month        = {Fri Dec 06 00:00:00 EST 2019}

}

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Works referenced in this record:

Diversity of trion states and substrate effects in the optical properties of an MoS2 monolayer
journal, December 2017

Drüppel, Matthias; Deilmann, Thorsten; Krüger, Peter
Nature Communications, Vol. 8, Issue 1
DOI: 10.1038/s41467-017-02286-6

Tunable Magnetism and Half-Metallicity in Hole-Doped Monolayer GaSe
journal, June 2015

Cao, Ting; Li, Zhenglu; Louie, Steven G.
Physical Review Letters, Vol. 114, Issue 23
DOI: 10.1103/PhysRevLett.114.236602

Optical and Excitonic Properties of Atomically Thin Transition-Metal Dichalcogenides
journal, March 2018

Berkelbach, Timothy C.; Reichman, David R.
Annual Review of Condensed Matter Physics, Vol. 9, Issue 1
DOI: 10.1146/annurev-conmatphys-033117-054009

Defect-induced magnetism in graphene
journal, March 2007

Yazyev, Oleg V.; Helm, Lothar
Physical Review B, Vol. 75, Issue 12
DOI: 10.1103/PhysRevB.75.125408

Model dielectric function for 2D semiconductors including substrate screening
journal, January 2017

Trolle, Mads L.; Pedersen, Thomas G.; Véniard, Valerie
Scientific Reports, Vol. 7, Issue 1
DOI: 10.1038/srep39844

Unifying Optical Selection Rules for Excitons in Two Dimensions: Band Topology and Winding Numbers
journal, February 2018

Cao, Ting; Wu, Meng; Louie, Steven G.
Physical Review Letters, Vol. 120, Issue 8
DOI: 10.1103/PhysRevLett.120.087402

Optical Signatures of Quantum Emitters in Suspended Hexagonal Boron Nitride
journal, February 2017

Exarhos, Annemarie L.; Hopper, David A.; Grote, Richard R.
ACS Nano, Vol. 11, Issue 3
DOI: 10.1021/acsnano.7b00665

Theory of Exciton–Exciton Interactions in Monolayer Transition Metal Dichalcogenides
journal, July 2018

Katsch, Florian; Selig, Malte; Carmele, Alexander
physica status solidi (b), Vol. 255, Issue 12
DOI: 10.1002/pssb.201800185

Orbital diamagnetism in multilayer graphenes: Systematic study with the effective mass approximation
journal, August 2007

Koshino, Mikito; Ando, Tsuneya
Physical Review B, Vol. 76, Issue 8
DOI: 10.1103/PhysRevB.76.085425

Stacking-dependent band gap and quantum transport in trilayer graphene
journal, September 2011

Bao, W.; Jing, L.; Velasco, J.
Nature Physics, Vol. 7, Issue 12
DOI: 10.1038/nphys2103

Observation of an electrically tunable band gap in trilayer graphene
journal, September 2011

Lui, Chun Hung; Li, Zhiqiang; Mak, Kin Fai
Nature Physics, Vol. 7, Issue 12
DOI: 10.1038/nphys2102

Valley-polarized exciton dynamics in a 2D semiconductor heterostructure
journal, February 2016

Rivera, P.; Seyler, K. L.; Yu, H.
Science, Vol. 351, Issue 6274
DOI: 10.1126/science.aac7820

Tight-binding representation of the optical matrix elements: Theory and applications
journal, June 1993

Lew Yan Voon, L. C.; Ram-Mohan, L. R.
Physical Review B, Vol. 47, Issue 23
DOI: 10.1103/PhysRevB.47.15500

Defect-Induced Modification of Low-Lying Excitons and Valley Selectivity in Monolayer Transition Metal Dichalcogenides
journal, October 2018

Refaely-Abramson, Sivan; Qiu, Diana Y.; Louie, Steven G.
Physical Review Letters, Vol. 121, Issue 16
DOI: 10.1103/PhysRevLett.121.167402

Large spin splitting in the conduction band of transition metal dichalcogenide monolayers
journal, December 2013

Kośmider, K.; González, J. W.; Fernández-Rossier, J.
Physical Review B, Vol. 88, Issue 24
DOI: 10.1103/PhysRevB.88.245436

Optical spectrum of excitons in the crystal lattice
journal, April 1956

Gross, E. F.
Il Nuovo Cimento, Vol. 3, Issue S4
DOI: 10.1007/BF02746069

Orbital Symmetry and the Optical Response of Single-Layer MX Monochalcogenides
journal, February 2018

Antonius, Gabriel; Qiu, Diana Y.; Louie, Steven G.
Nano Letters, Vol. 18, Issue 3
DOI: 10.1021/acs.nanolett.7b05286

Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems
journal, April 2007

Engel, Gregory S.; Calhoun, Tessa R.; Read, Elizabeth L.
Nature, Vol. 446, Issue 7137
DOI: 10.1038/nature05678

First-Principles Theory of Quasiparticles: Calculation of Band Gaps in Semiconductors and Insulators
journal, September 1985

Hybertsen, Mark S.; Louie, Steven G.
Physical Review Letters, Vol. 55, Issue 13
DOI: 10.1103/PhysRevLett.55.1418

Environmental Screening Effects in 2D Materials: Renormalization of the Bandgap, Electronic Structure, and Optical Spectra of Few-Layer Black Phosphorus
journal, July 2017

Qiu, Diana Y.; da Jornada, Felipe H.; Louie, Steven G.
Nano Letters, Vol. 17, Issue 8
DOI: 10.1021/acs.nanolett.7b01365

2D materials and van der Waals heterostructures
journal, July 2016

Novoselov, K. S.; Mishchenko, A.; Carvalho, A.
Science, Vol. 353, Issue 6298
DOI: 10.1126/science.aac9439

Fundamentals of Condensed Matter Physics
book, January 2019

Cohen, Marvin L.; Louie, Steven G.
DOI: 10.1017/CBO9781139031783

Probing excitonic dark states in single-layer tungsten disulphide
journal, August 2014

Ye, Ziliang; Cao, Ting; O’Brien, Kevin
Nature, Vol. 513, Issue 7517
DOI: 10.1038/nature13734

Ultrafast dynamics in van der Waals heterostructures
journal, November 2018

Jin, Chenhao; Ma, Eric Yue; Karni, Ouri
Nature Nanotechnology, Vol. 13, Issue 11
DOI: 10.1038/s41565-018-0298-5

The electronic properties of graphene
journal, January 2009

Castro Neto, A. H.; Guinea, F.; Peres, N. M. R.
Reviews of Modern Physics, Vol. 81, Issue 1, p. 109-162
DOI: 10.1103/RevModPhys.81.109

Electrical control of neutral and charged excitons in a monolayer semiconductor
journal, February 2013

Ross, Jason S.; Wu, Sanfeng; Yu, Hongyi
Nature Communications, Vol. 4, Issue 1
DOI: 10.1038/ncomms2498

Optical matrix elements in tight-binding models with overlap
journal, September 2005

Sandu, Titus
Physical Review B, Vol. 72, Issue 12
DOI: 10.1103/PhysRevB.72.125105

The renaissance of black phosphorus
journal, March 2015

Ling, Xi; Wang, Han; Huang, Shengxi
Proceedings of the National Academy of Sciences, Vol. 112, Issue 15
DOI: 10.1073/pnas.1416581112

Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach
journal, November 2015

Velizhanin, Kirill A.; Saxena, Avadh
Physical Review B, Vol. 92, Issue 19
DOI: 10.1103/PhysRevB.92.195305

Pure Carbon Nanoscale Devices: Nanotube Heterojunctions
journal, February 1996

Chico, L.; Crespi, Vincent H.; Benedict, Lorin X.
Physical Review Letters, Vol. 76, Issue 6
DOI: 10.1103/PhysRevLett.76.971

Ultrafast time resolution in scanned probe microscopies
journal, November 1990

Hamers, R. J.; Cahill, David G.
Applied Physics Letters, Vol. 57, Issue 19
DOI: 10.1063/1.103997

Giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor
journal, August 2014

Ugeda, Miguel M.; Bradley, Aaron J.; Shi, Su-Fei
Nature Materials, Vol. 13, Issue 12
DOI: 10.1038/nmat4061

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

Kohn, W.; Sham, L. J.
Physical Review, Vol. 140, Issue 4A, p. A1133-A1138
DOI: 10.1103/PhysRev.140.A1133

Electromagnetic fields and dielectric response in empirical tight-binding theory
journal, February 1995

Graf, M.; Vogl, P.
Physical Review B, Vol. 51, Issue 8
DOI: 10.1103/PhysRevB.51.4940

Electric transport and magnetic properties in multilayer graphene
journal, January 2008

Nakamura, Masaaki; Hirasawa, Lila
Physical Review B, Vol. 77, Issue 4
DOI: 10.1103/PhysRevB.77.045429

Multimodal spectromicroscopy of monolayer WS ₂ enabled by ultra-clean van der Waals epitaxy
journal, July 2018

Kastl, C.; Chen, C. T.; Koch, R. J.
2D Materials, Vol. 5, Issue 4
DOI: 10.1088/2053-1583/aad21c

Generalized Kadanoff-Baym ansatz for deriving quantum transport equations
journal, November 1986

Lipavský, P.; Špička, V.; Velický, B.
Physical Review B, Vol. 34, Issue 10
DOI: 10.1103/PhysRevB.34.6933

Topological valley transport at bilayer graphene domain walls
journal, April 2015

Ju, Long; Shi, Zhiwen; Nair, Nityan
Nature, Vol. 520, Issue 7549
DOI: 10.1038/nature14364

New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
journal, August 1965

Hedin, Lars
Physical Review, Vol. 139, Issue 3A
DOI: 10.1103/PhysRev.139.A796

Revealing the biexciton and trion-exciton complexes in BN encapsulated WSe2
journal, September 2018

Li, Zhipeng; Wang, Tianmeng; Lu, Zhengguang
Nature Communications, Vol. 9, Issue 1
DOI: 10.1038/s41467-018-05863-5

Emerging photoluminescence from the dark-exciton phonon replica in monolayer WSe2
journal, June 2019

Li, Zhipeng; Wang, Tianmeng; Jin, Chenhao
Nature Communications, Vol. 10, Issue 1
DOI: 10.1038/s41467-019-10477-6

Efficient generation of neutral and charged biexcitons in encapsulated WSe2 monolayers
journal, September 2018

Ye, Ziliang; Waldecker, Lutz; Ma, Eric Yue
Nature Communications, Vol. 9, Issue 1
DOI: 10.1038/s41467-018-05917-8

Polarization analysis of excitons in monolayer and bilayer transition-metal dichalcogenides
journal, September 2015

Dery, Hanan; Song, Yang
Physical Review B, Vol. 92, Issue 12
DOI: 10.1103/PhysRevB.92.125431

Stability and electronic structures of native defects in single-layer ${MoS}_{2}$
journal, May 2014

Noh, Ji-Young; Kim, Hanchul; Kim, Yong-Sung
Physical Review B, Vol. 89, Issue 20
DOI: 10.1103/PhysRevB.89.205417

Exploring atomic defects in molybdenum disulphide monolayers
journal, February 2015

Hong, Jinhua; Hu, Zhixin; Probert, Matt
Nature Communications, Vol. 6, Issue 1
DOI: 10.1038/ncomms7293

Probing ultrafast spin dynamics with optical pump–probe scanning tunnelling microscopy
journal, June 2014

Yoshida, Shoji; Aizawa, Yuta; Wang, Zi-han
Nature Nanotechnology, Vol. 9, Issue 8
DOI: 10.1038/nnano.2014.125

Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides
journal, July 2019

Barja, Sara; Refaely-Abramson, Sivan; Schuler, Bruno
Nature Communications, Vol. 10, Issue 1
DOI: 10.1038/s41467-019-11342-2

Tightly bound trions in monolayer MoS2
journal, December 2012

Mak, Kin Fai; He, Keliang; Lee, Changgu
Nature Materials, Vol. 12, Issue 3
DOI: 10.1038/nmat3505

Molecular-beam epitaxy of monolayer and bilayer WSe ₂ : a scanning tunneling microscopy/spectroscopy study and deduction of exciton binding energy
journal, June 2015

Liu, H. J.; Jiao, L.; Xie, L.
2D Materials, Vol. 2, Issue 3
DOI: 10.1088/2053-1583/2/3/034004

Valley Chern numbers and boundary modes in gapped bilayer graphene
journal, June 2013

Zhang, F.; MacDonald, A. H.; Mele, E. J.
Proceedings of the National Academy of Sciences, Vol. 110, Issue 26
DOI: 10.1073/pnas.1308853110

The rise of graphene
journal, March 2007

Geim, A. K.; Novoselov, K. S.
Nature Materials, Vol. 6, Issue 3, p. 183-191
DOI: 10.1038/nmat1849

Effective mass approximation for excitons
journal, September 1956

Dresselhaus, G.
Journal of Physics and Chemistry of Solids, Vol. 1, Issue 1-2
DOI: 10.1016/0022-3697(56)90004-X

Optical matrix elements in tight-binding calculations
journal, May 2001

Pedersen, Thomas Garm; Pedersen, Kjeld; Brun Kriestensen, Thomas
Physical Review B, Vol. 63, Issue 20
DOI: 10.1103/PhysRevB.63.201101

Intrinsic Structural Defects in Monolayer Molybdenum Disulfide
journal, May 2013

Zhou, Wu; Zou, Xiaolong; Najmaei, Sina
Nano Letters, Vol. 13, Issue 6, p. 2615-2622
DOI: 10.1021/nl4007479

Observation of biexcitons in monolayer WSe2
journal, May 2015

You, Yumeng; Zhang, Xiao-Xiao; Berkelbach, Timothy C.
Nature Physics, Vol. 11, Issue 6
DOI: 10.1038/nphys3324

Intensity of Optical Absorption by Excitons
journal, December 1957

Elliott, R. J.
Physical Review, Vol. 108, Issue 6
DOI: 10.1103/PhysRev.108.1384

Valleytronics in 2D materials
journal, August 2016

Schaibley, John R.; Yu, Hongyi; Clark, Genevieve
Nature Reviews Materials, Vol. 1, Issue 11
DOI: 10.1038/natrevmats.2016.55

Defect Structure of Localized Excitons in a ${WSe}_{2}$ Monolayer
journal, July 2017

Zhang, Shuai; Wang, Chen-Guang; Li, Ming-Yang
Physical Review Letters, Vol. 119, Issue 4
DOI: 10.1103/PhysRevLett.119.046101

Quantum Emission from Defects in Single-Crystalline Hexagonal Boron Nitride
journal, March 2016

Tran, Toan Trong; Zachreson, Cameron; Berhane, Amanuel Michael
Physical Review Applied, Vol. 5, Issue 3
DOI: 10.1103/PhysRevApplied.5.034005

Theory of neutral and charged excitons in monolayer transition metal dichalcogenides
journal, July 2013

Berkelbach, Timothy C.; Hybertsen, Mark S.; Reichman, David R.
Physical Review B, Vol. 88, Issue 4
DOI: 10.1103/PhysRevB.88.045318

Electron-hole excitations and optical spectra from first principles
journal, August 2000

Rohlfing, Michael; Louie, Steven G.
Physical Review B, Vol. 62, Issue 8
DOI: 10.1103/PhysRevB.62.4927

Application of the Green’s functions method to the study of the optical properties of semiconductors
journal, December 1988

Strinati, G.
La Rivista del Nuovo Cimento, Vol. 11, Issue 12
DOI: 10.1007/BF02725962

Coupled Spin and Valley Physics in Monolayers of ${MoS}_{2}$ and Other Group-VI Dichalcogenides
journal, May 2012

Xiao, Di; Liu, Gui-Bin; Feng, Wanxiang
Physical Review Letters, Vol. 108, Issue 19
DOI: 10.1103/PhysRevLett.108.196802

Raman spectroscopy of graphene and graphite: Disorder, electron–phonon coupling, doping and nonadiabatic effects
journal, July 2007

Ferrari, Andrea C.
Solid State Communications, Vol. 143, Issue 1-2, p. 47-57
DOI: 10.1016/j.ssc.2007.03.052

Probing dark excitons in atomically thin semiconductors via near-field coupling to surface plasmon polaritons
journal, June 2017

Zhou, You; Scuri, Giovanni; Wild, Dominik S.
Nature Nanotechnology, Vol. 12, Issue 9
DOI: 10.1038/nnano.2017.106

Quantum Theory of the Dielectric Constant in Real Solids
journal, April 1962

Adler, Stephen L.
Physical Review, Vol. 126, Issue 2
DOI: 10.1103/PhysRev.126.413

Pseudospin magnetism in graphene
journal, January 2008

Min, Hongki; Borghi, Giovanni; Polini, Marco
Physical Review B, Vol. 77, Issue 4
DOI: 10.1103/PhysRevB.77.041407

Charged excitons in monolayer ${WSe}_{2}$ : Experiment and theory
journal, August 2017

Courtade, E.; Semina, M.; Manca, M.
Physical Review B, Vol. 96, Issue 8
DOI: 10.1103/PhysRevB.96.085302

Chiral decomposition in the electronic structure of graphene multilayers
journal, April 2008

Min, Hongki; MacDonald, A. H.
Physical Review B, Vol. 77, Issue 15
DOI: 10.1103/PhysRevB.77.155416

Erratum: Optical Spectrum of ${MoS}_{2}$ : Many-Body Effects and Diversity of Exciton States [Phys. Rev. Lett. 111 , 216805 (2013)]
journal, September 2015

Qiu, Diana Y.; da Jornada, Felipe H.; Louie, Steven G.
Physical Review Letters, Vol. 115, Issue 11
DOI: 10.1103/PhysRevLett.115.119901

Real-space imaging of transient carrier dynamics by nanoscale pump–probe microscopy
journal, October 2010

Terada, Yasuhiko; Yoshida, Shoji; Takeuchi, Osamu
Nature Photonics, Vol. 4, Issue 12
DOI: 10.1038/nphoton.2010.235

Probing the Role of Interlayer Coupling and Coulomb Interactions on Electronic Structure in Few-Layer MoSe ₂ Nanostructures
journal, March 2015

Bradley, Aaron J.; M. Ugeda, Miguel; da Jornada, Felipe H.
Nano Letters, Vol. 15, Issue 4
DOI: 10.1021/acs.nanolett.5b00160

Solving the Kadanoff-Baym Equations for Inhomogeneous Systems: Application to Atoms and Molecules
journal, April 2007

Dahlen, Nils Erik; van Leeuwen, Robert
Physical Review Letters, Vol. 98, Issue 15
DOI: 10.1103/PhysRevLett.98.153004

Magnetic brightening and control of dark excitons in monolayer WSe2
journal, June 2017

Zhang, Xiao-Xiao; Cao, Ting; Lu, Zhengguang
Nature Nanotechnology, Vol. 12, Issue 9
DOI: 10.1038/nnano.2017.105

Emerging Photoluminescence in Monolayer MoS₂
journal, April 2010

Splendiani, Andrea; Sun, Liang; Zhang, Yuanbo
Nano Letters, Vol. 10, Issue 4, p. 1271-1275
DOI: 10.1021/nl903868w

Spin and pseudospins in layered transition metal dichalcogenides
journal, April 2014

Xu, Xiaodong; Yao, Wang; Xiao, Di
Nature Physics, Vol. 10, Issue 5
DOI: 10.1038/nphys2942

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures
journal, June 2012

Deslippe, Jack; Samsonidze, Georgy; Strubbe, David A.
Computer Physics Communications, Vol. 183, Issue 6
DOI: 10.1016/j.cpc.2011.12.006

Tunable excitons in bilayer graphene
journal, November 2017

Ju, Long; Wang, Lei; Cao, Ting
Science, Vol. 358, Issue 6365
DOI: 10.1126/science.aam9175

In-Plane Propagation of Light in Transition Metal Dichalcogenide Monolayers: Optical Selection Rules
journal, July 2017

Wang, G.; Robert, C.; Glazov, M. M.
Physical Review Letters, Vol. 119, Issue 4
DOI: 10.1103/PhysRevLett.119.047401

Charge-tuneable biexciton complexes in monolayer WSe2
journal, September 2018

Barbone, Matteo; Montblanch, Alejandro R. -P.; Kara, Dhiren M.
Nature Communications, Vol. 9, Issue 1
DOI: 10.1038/s41467-018-05632-4

Simple Screened Hydrogen Model of Excitons in Two-Dimensional Materials
journal, February 2016

Olsen, Thomas; Latini, Simone; Rasmussen, Filip
Physical Review Letters, Vol. 116, Issue 5
DOI: 10.1103/PhysRevLett.116.056401

Optical Selection Rule of Excitons in Gapped Chiral Fermion Systems
journal, February 2018

Zhang, Xiaoou; Shan, Wen-Yu; Xiao, Di
Physical Review Letters, Vol. 120, Issue 7
DOI: 10.1103/PhysRevLett.120.077401

Direct observation of a widely tunable bandgap in bilayer graphene
journal, June 2009

Zhang, Yuanbo; Tang, Tsung-Ta; Girit, Caglar
Nature, Vol. 459, Issue 7248
DOI: 10.1038/nature08105

Gapped Bilayer Graphene: A Tunable Strongly Correlated Band Insulator
journal, September 2012

Cheianov, V. V.; Aleiner, I. L.; Fal’ko, V. I.
Physical Review Letters, Vol. 109, Issue 10
DOI: 10.1103/PhysRevLett.109.106801

Coulomb-bound four- and five-particle intervalley states in an atomically-thin semiconductor
journal, September 2018

Chen, Shao-Yu; Goldstein, Thomas; Taniguchi, Takashi
Nature Communications, Vol. 9, Issue 1
DOI: 10.1038/s41467-018-05558-x

Impact of intrinsic atomic defects on the electronic structure of MoS ₂ monolayers
journal, August 2014

Kc, Santosh; Longo, Roberto C.; Addou, Rafik
Nanotechnology, Vol. 25, Issue 37
DOI: 10.1088/0957-4484/25/37/375703

Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
journal, October 1986

Hybertsen, Mark S.; Louie, Steven G.
Physical Review B, Vol. 34, Issue 8, p. 5390-5413
DOI: 10.1103/PhysRevB.34.5390

Direct Imaging of Band Profile in Single Layer MoS ₂ on Graphite: Quasiparticle Energy Gap, Metallic Edge States, and Edge Band Bending
journal, April 2014

Zhang, Chendong; Johnson, Amber; Hsu, Chang-Lung
Nano Letters, Vol. 14, Issue 5
DOI: 10.1021/nl501133c

Ultrasensitive tunability of the direct bandgap of 2D InSe flakes via strain engineering
journal, January 2018

Li, Yang; Wang, Tianmeng; Wu, Meng
2D Materials, Vol. 5, Issue 2
DOI: 10.1088/2053-1583/aaa6eb

Valley-dependent optoelectronics from inversion symmetry breaking
journal, June 2008

Yao, Wang; Xiao, Di; Niu, Qian
Physical Review B, Vol. 77, Issue 23
DOI: 10.1103/PhysRevB.77.235406

Giant spin-orbit-induced spin splitting in two-dimensional transition-metal dichalcogenide semiconductors
journal, October 2011

Zhu, Z. Y.; Cheng, Y. C.; Schwingenschlögl, U.
Physical Review B, Vol. 84, Issue 15
DOI: 10.1103/PhysRevB.84.153402

Optical Spectrum of ${MoS}_{2}$ : 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
DOI: 10.1103/PhysRevLett.111.216805

Existence and topological stability of Fermi points in multilayered graphene
journal, April 2007

Mañes, J. L.; Guinea, F.; Vozmediano, María A. H.
Physical Review B, Vol. 75, Issue 15
DOI: 10.1103/PhysRevB.75.155424

On the Transformation of light into Heat in Solids. I
journal, January 1931

Frenkel, J.
Physical Review, Vol. 37, Issue 1
DOI: 10.1103/PhysRev.37.17

Electronic excitations: density-functional versus many-body Green’s-function approaches
journal, June 2002

Onida, Giovanni; Reining, Lucia; Rubio, Angel
Reviews of Modern Physics, Vol. 74, Issue 2
DOI: 10.1103/RevModPhys.74.601

First-principles study of the optical absorption spectra of electrically gated bilayer graphene
journal, April 2010

Yang, Li
Physical Review B, Vol. 81, Issue 15
DOI: 10.1103/PhysRevB.81.155445

Van der Waals heterostructures and devices
journal, July 2016

Liu, Yuan; Weiss, Nathan O.; Duan, Xidong
Nature Reviews Materials, Vol. 1, Issue 9
DOI: 10.1038/natrevmats.2016.42

The electronic properties of bilayer graphene
journal, April 2013

McCann, Edward; Koshino, Mikito
Reports on Progress in Physics, Vol. 76, Issue 5
DOI: 10.1088/0034-4885/76/5/056503

Perspective: Fundamental aspects of time-dependent density functional theory
journal, June 2016

Maitra, Neepa T.
The Journal of Chemical Physics, Vol. 144, Issue 22
DOI: 10.1063/1.4953039

Nonanalyticity, Valley Quantum Phases, and Lightlike Exciton Dispersion in Monolayer Transition Metal Dichalcogenides: Theory and First-Principles Calculations
journal, October 2015

Qiu, Diana Y.; Cao, Ting; Louie, Steven G.
Physical Review Letters, Vol. 115, Issue 17
DOI: 10.1103/PhysRevLett.115.176801

Quantum conductance of carbon nanotubes with defects
journal, July 1996

Chico, Leonor; Benedict, Lorin X.; Louie, Steven G.
Physical Review B, Vol. 54, Issue 4
DOI: 10.1103/PhysRevB.54.2600

Dielectric response of molecules in empirical tight-binding theory
journal, December 2001

Boykin, Timothy B.; Vogl, P.
Physical Review B, Vol. 65, Issue 3
DOI: 10.1103/PhysRevB.65.035202

Large excitonic effects in monolayers of molybdenum and tungsten dichalcogenides
journal, September 2012

Ramasubramaniam, Ashwin
Physical Review B, Vol. 86, Issue 11
DOI: 10.1103/PhysRevB.86.115409

Valley-selective circular dichroism of monolayer molybdenum disulphide
journal, January 2012

Cao, Ting; Wang, Gang; Han, Wenpeng
Nature Communications, Vol. 3, Issue 1
DOI: 10.1038/ncomms1882

Single photon emitters in exfoliated WSe2 structures
journal, May 2015

Koperski, M.; Nogajewski, K.; Arora, A.
Nature Nanotechnology, Vol. 10, Issue 6
DOI: 10.1038/nnano.2015.67

Picosecond Resolution in Scanning Tunneling Microscopy
journal, November 1993

Nunes, G.; Freeman, M. R.
Science, Vol. 262, Issue 5136
DOI: 10.1126/science.262.5136.1029

Optically active quantum dots in monolayer WSe2
journal, May 2015

Srivastava, Ajit; Sidler, Meinrad; Allain, Adrien V.
Nature Nanotechnology, Vol. 10, Issue 6
DOI: 10.1038/nnano.2015.60

Spin–flip processes and radiative decay of dark intravalley excitons in transition metal dichalcogenide monolayers
journal, August 2016

Slobodeniuk, A. O.; Basko, D. M.
2D Materials, Vol. 3, Issue 3
DOI: 10.1088/2053-1583/3/3/035009

Colloquium : Excitons in atomically thin transition metal dichalcogenides
journal, April 2018

Wang, Gang; Chernikov, Alexey; Glazov, Mikhail M.
Reviews of Modern Physics, Vol. 90, Issue 2
DOI: 10.1103/RevModPhys.90.021001

Screening and many-body effects in two-dimensional crystals: Monolayer ${MoS}_{2}$
journal, June 2016

Qiu, Diana Y.; da Jornada, Felipe H.; Louie, Steven G.
Physical Review B, Vol. 93, Issue 23
DOI: 10.1103/PhysRevB.93.235435

Two-dimensional material nanophotonics
journal, November 2014

Xia, Fengnian; Wang, Han; Xiao, Di
Nature Photonics, Vol. 8, Issue 12
DOI: 10.1038/nphoton.2014.271

Exciton Diffusion and Halo Effects in Monolayer Semiconductors
journal, May 2018

Kulig, Marvin; Zipfel, Jonas; Nagler, Philipp
Physical Review Letters, Vol. 120, Issue 20
DOI: 10.1103/PhysRevLett.120.207401

Exciton complexes in low dimensional transition metal dichalcogenides
journal, August 2014

Thilagam, A.
Journal of Applied Physics, Vol. 116, Issue 5
DOI: 10.1063/1.4892488

Graphene plasmonics
journal, November 2012

Grigorenko, A. N.; Polini, M.; Novoselov, K. S.
Nature Photonics, Vol. 6, Issue 11, p. 749-758
DOI: 10.1038/nphoton.2012.262

Splitting between bright and dark excitons in transition metal dichalcogenide monolayers
journal, March 2016

Echeverry, J. P.; Urbaszek, B.; Amand, T.
Physical Review B, Vol. 93, Issue 12
DOI: 10.1103/PhysRevB.93.121107

Tightly Bound Excitons in Monolayer ${WSe}_{2}$
journal, July 2014

He, Keliang; Kumar, Nardeep; Zhao, Liang
Physical Review Letters, Vol. 113, Issue 2
DOI: 10.1103/PhysRevLett.113.026803

Many-body simulation of two-dimensional electronic spectroscopy of excitons and trions in monolayer transition metal dichalcogenides
journal, July 2019

Tempelaar, Roel; Berkelbach, Timothy C.
Nature Communications, Vol. 10, Issue 1
DOI: 10.1038/s41467-019-11497-y

Quantum emission from hexagonal boron nitride monolayers
journal, October 2015

Tran, Toan Trong; Bray, Kerem; Ford, Michael J.
Nature Nanotechnology, Vol. 11, Issue 1
DOI: 10.1038/nnano.2015.242

Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
journal, November 2012

Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras
Nature Nanotechnology, Vol. 7, Issue 11, p. 699-712
DOI: 10.1038/nnano.2012.193

Virtual Trions in the Photoluminescence of Monolayer Transition-Metal Dichalcogenides
journal, May 2019

Van Tuan, Dinh; Jones, Aaron M.; Yang, Min
Physical Review Letters, Vol. 122, Issue 21
DOI: 10.1103/PhysRevLett.122.217401

Photonics and optoelectronics of 2D semiconductor transition metal dichalcogenides
journal, March 2016

Mak, Kin Fai; Shan, Jie
Nature Photonics, Vol. 10, Issue 4
DOI: 10.1038/nphoton.2015.282

Exciton Binding Energy of Monolayer WS2
journal, March 2015

Zhu, Bairen; Chen, Xi; Cui, Xiaodong
Scientific Reports, Vol. 5, Issue 1
DOI: 10.1038/srep09218

Motion of Electrons and Holes in Perturbed Periodic Fields
journal, February 1955

Luttinger, J. M.; Kohn, W.
Physical Review, Vol. 97, Issue 4
DOI: 10.1103/PhysRev.97.869

Exchange-driven intravalley mixing of excitons in monolayer transition metal dichalcogenides
journal, December 2018

Guo, Liang; Wu, Meng; Cao, Ting
Nature Physics, Vol. 15, Issue 3
DOI: 10.1038/s41567-018-0362-y

Recent Advances in Two-Dimensional Materials beyond Graphene
journal, October 2015

Bhimanapati, Ganesh R.; Lin, Zhong; Meunier, Vincent
ACS Nano, Vol. 9, Issue 12
DOI: 10.1021/acsnano.5b05556

Optical manipulation of valley pseudospin
journal, September 2016

Ye, Ziliang; Sun, Dezheng; Heinz, Tony F.
Nature Physics, Vol. 13, Issue 1
DOI: 10.1038/nphys3891

Single quantum emitters in monolayer semiconductors
journal, May 2015

He, Yu-Ming; Clark, Genevieve; Schaibley, John R.
Nature Nanotechnology, Vol. 10, Issue 6
DOI: 10.1038/nnano.2015.75

Inhomogeneous Electron Gas
journal, November 1964

Hohenberg, P.; Kohn, W.
Physical Review, Vol. 136, Issue 3B, p. B864-B871
DOI: 10.1103/PhysRev.136.B864

Two-dimensional atomic crystals
journal, July 2005

Novoselov, K. S.; Jiang, D.; Schedin, F.
Proceedings of the National Academy of Sciences, Vol. 102, Issue 30, p. 10451-10453
DOI: 10.1073/pnas.0502848102

Ultrafast charge transfer in atomically thin MoS2/WS2 heterostructures
journal, August 2014

Hong, Xiaoping; Kim, Jonghwan; Shi, Su-Fei
Nature Nanotechnology, Vol. 9, Issue 9
DOI: 10.1038/nnano.2014.167

Electrical Tuning of Exciton Binding Energies in Monolayer ${WS}_{2}$
journal, September 2015

Chernikov, Alexey; van der Zande, Arend M.; Hill, Heather M.
Physical Review Letters, Vol. 115, Issue 12
DOI: 10.1103/PhysRevLett.115.126802

Electron-Hole Excitations in Semiconductors and Insulators
journal, September 1998

Rohlfing, Michael; Louie, Steven G.
Physical Review Letters, Vol. 81, Issue 11
DOI: 10.1103/PhysRevLett.81.2312

Direct observation of the layer-dependent electronic structure in phosphorene
journal, September 2016

Li, Likai; Kim, Jonghwan; Jin, Chenhao
Nature Nanotechnology, Vol. 12, Issue 1
DOI: 10.1038/nnano.2016.171

Optical modulators with 2D layered materials
journal, March 2016

Sun, Zhipei; Martinez, Amos; Wang, Feng
Nature Photonics, Vol. 10, Issue 4
DOI: 10.1038/nphoton.2016.15

Ultrafast Dynamic Microscopy of Carrier and Exciton Transport
journal, June 2019

Zhu, Tong; Snaider, Jordan M.; Yuan, Long
Annual Review of Physical Chemistry, Vol. 70, Issue 1
DOI: 10.1146/annurev-physchem-042018-052605

Landau-Level Degeneracy and Quantum Hall Effect in a Graphite Bilayer
journal, March 2006

McCann, Edward; Fal’ko, Vladimir I.
Physical Review Letters, Vol. 96, Issue 8
DOI: 10.1103/PhysRevLett.96.086805

Electron−Hole Interaction in Carbon Nanotubes: Novel Screening and Exciton Excitation Spectra
journal, April 2009

Deslippe, Jack; Dipoppa, Mario; Prendergast, David
Nano Letters, Vol. 9, Issue 4
DOI: 10.1021/nl802957t

Tunable Excitons in Biased Bilayer Graphene
journal, February 2010

Park, Cheol-Hwan; Louie, Steven G.
Nano Letters, Vol. 10, Issue 2
DOI: 10.1021/nl902932k

Exciton Binding Energy and Nonhydrogenic Rydberg Series in Monolayer ${WS}_{2}$
journal, August 2014

Chernikov, Alexey; Berkelbach, Timothy C.; Hill, Heather M.
Physical Review Letters, Vol. 113, Issue 7
DOI: 10.1103/PhysRevLett.113.076802

Gate-tunable topological valley transport in bilayer graphene
journal, September 2015

Sui, Mengqiao; Chen, Guorui; Ma, Liguo
Nature Physics, Vol. 11, Issue 12
DOI: 10.1038/nphys3485

Phonon hydrodynamics in two-dimensional materials
journal, March 2015

Cepellotti, Andrea; Fugallo, Giorgia; Paulatto, Lorenzo
Nature Communications, Vol. 6, Issue 1
DOI: 10.1038/ncomms7400

Electronic states and Landau levels in graphene stacks
journal, June 2006

Guinea, F.; Castro Neto, A. H.; Peres, N. M. R.
Physical Review B, Vol. 73, Issue 24
DOI: 10.1103/PhysRevB.73.245426

yambo: An ab initio tool for excited state calculations
journal, August 2009

Marini, Andrea; Hogan, Conor; Grüning, Myrta
Computer Physics Communications, Vol. 180, Issue 8
DOI: 10.1016/j.cpc.2009.02.003

Control of valley polarization in monolayer MoS2 by optical helicity
journal, June 2012

Mak, Kin Fai; He, Keliang; Shan, Jie
Nature Nanotechnology, Vol. 7, Issue 8
DOI: 10.1038/nnano.2012.96

Fine structure and lifetime of dark excitons in transition metal dichalcogenide monolayers
journal, October 2017

Robert, C.; Amand, T.; Cadiz, F.
Physical Review B, Vol. 96, Issue 15
DOI: 10.1103/PhysRevB.96.155423

Valley polarization in MoS2 monolayers by optical pumping
journal, June 2012

Zeng, Hualing; Dai, Junfeng; Yao, Wang
Nature Nanotechnology, Vol. 7, Issue 8
DOI: 10.1038/nnano.2012.95

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Title: Theory and Ab Initio Calculation of Optically Excited States—Recent Advances in 2D Materials

Citation Formats

Diversity of trion states and substrate effects in the optical properties of an MoS2 monolayer journal, December 2017

Tunable Magnetism and Half-Metallicity in Hole-Doped Monolayer GaSe journal, June 2015

Optical and Excitonic Properties of Atomically Thin Transition-Metal Dichalcogenides journal, March 2018

Defect-induced magnetism in graphene journal, March 2007

Model dielectric function for 2D semiconductors including substrate screening journal, January 2017

Unifying Optical Selection Rules for Excitons in Two Dimensions: Band Topology and Winding Numbers journal, February 2018

Optical Signatures of Quantum Emitters in Suspended Hexagonal Boron Nitride journal, February 2017

Theory of Exciton–Exciton Interactions in Monolayer Transition Metal Dichalcogenides journal, July 2018

Orbital diamagnetism in multilayer graphenes: Systematic study with the effective mass approximation journal, August 2007

Stacking-dependent band gap and quantum transport in trilayer graphene journal, September 2011

Observation of an electrically tunable band gap in trilayer graphene journal, September 2011

Valley-polarized exciton dynamics in a 2D semiconductor heterostructure journal, February 2016

Tight-binding representation of the optical matrix elements: Theory and applications journal, June 1993

Defect-Induced Modification of Low-Lying Excitons and Valley Selectivity in Monolayer Transition Metal Dichalcogenides journal, October 2018

Large spin splitting in the conduction band of transition metal dichalcogenide monolayers journal, December 2013

Optical spectrum of excitons in the crystal lattice journal, April 1956

Orbital Symmetry and the Optical Response of Single-Layer MX Monochalcogenides journal, February 2018

Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems journal, April 2007

First-Principles Theory of Quasiparticles: Calculation of Band Gaps in Semiconductors and Insulators journal, September 1985

Environmental Screening Effects in 2D Materials: Renormalization of the Bandgap, Electronic Structure, and Optical Spectra of Few-Layer Black Phosphorus journal, July 2017

2D materials and van der Waals heterostructures journal, July 2016

Fundamentals of Condensed Matter Physics book, January 2019

Probing excitonic dark states in single-layer tungsten disulphide journal, August 2014

Ultrafast dynamics in van der Waals heterostructures journal, November 2018

The electronic properties of graphene journal, January 2009

Electrical control of neutral and charged excitons in a monolayer semiconductor journal, February 2013

Optical matrix elements in tight-binding models with overlap journal, September 2005

The renaissance of black phosphorus journal, March 2015

Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach journal, November 2015

Pure Carbon Nanoscale Devices: Nanotube Heterojunctions journal, February 1996

Ultrafast time resolution in scanned probe microscopies journal, November 1990

Giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor journal, August 2014

Self-Consistent Equations Including Exchange and Correlation Effects journal, November 1965

Electromagnetic fields and dielectric response in empirical tight-binding theory journal, February 1995

Electric transport and magnetic properties in multilayer graphene journal, January 2008

Multimodal spectromicroscopy of monolayer WS 2 enabled by ultra-clean van der Waals epitaxy journal, July 2018

Generalized Kadanoff-Baym ansatz for deriving quantum transport equations journal, November 1986

Topological valley transport at bilayer graphene domain walls journal, April 2015

New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem journal, August 1965

Revealing the biexciton and trion-exciton complexes in BN encapsulated WSe2 journal, September 2018

Emerging photoluminescence from the dark-exciton phonon replica in monolayer WSe2 journal, June 2019

Efficient generation of neutral and charged biexcitons in encapsulated WSe2 monolayers journal, September 2018

Polarization analysis of excitons in monolayer and bilayer transition-metal dichalcogenides journal, September 2015

Stability and electronic structures of native defects in single-layer MoS 2 journal, May 2014

Exploring atomic defects in molybdenum disulphide monolayers journal, February 2015

Probing ultrafast spin dynamics with optical pump–probe scanning tunnelling microscopy journal, June 2014

Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides journal, July 2019

Tightly bound trions in monolayer MoS2 journal, December 2012

Molecular-beam epitaxy of monolayer and bilayer WSe 2 : a scanning tunneling microscopy/spectroscopy study and deduction of exciton binding energy journal, June 2015

Valley Chern numbers and boundary modes in gapped bilayer graphene journal, June 2013

The rise of graphene journal, March 2007

Effective mass approximation for excitons journal, September 1956

Optical matrix elements in tight-binding calculations journal, May 2001

Intrinsic Structural Defects in Monolayer Molybdenum Disulfide journal, May 2013

Observation of biexcitons in monolayer WSe2 journal, May 2015

Intensity of Optical Absorption by Excitons journal, December 1957

Valleytronics in 2D materials journal, August 2016

Defect Structure of Localized Excitons in a WSe 2 Monolayer journal, July 2017

Quantum Emission from Defects in Single-Crystalline Hexagonal Boron Nitride journal, March 2016

Theory of neutral and charged excitons in monolayer transition metal dichalcogenides journal, July 2013

Electron-hole excitations and optical spectra from first principles journal, August 2000

Application of the Green’s functions method to the study of the optical properties of semiconductors journal, December 1988

Coupled Spin and Valley Physics in Monolayers of MoS 2 and Other Group-VI Dichalcogenides journal, May 2012

Raman spectroscopy of graphene and graphite: Disorder, electron–phonon coupling, doping and nonadiabatic effects journal, July 2007

Probing dark excitons in atomically thin semiconductors via near-field coupling to surface plasmon polaritons journal, June 2017

Quantum Theory of the Dielectric Constant in Real Solids journal, April 1962

Pseudospin magnetism in graphene journal, January 2008

Charged excitons in monolayer WSe 2 : Experiment and theory journal, August 2017

Chiral decomposition in the electronic structure of graphene multilayers journal, April 2008

Erratum: Optical Spectrum of MoS 2 : Many-Body Effects and Diversity of Exciton States [Phys. Rev. Lett. 111 , 216805 (2013)] journal, September 2015

Real-space imaging of transient carrier dynamics by nanoscale pump–probe microscopy journal, October 2010

Probing the Role of Interlayer Coupling and Coulomb Interactions on Electronic Structure in Few-Layer MoSe 2 Nanostructures journal, March 2015

Solving the Kadanoff-Baym Equations for Inhomogeneous Systems: Application to Atoms and Molecules journal, April 2007

Magnetic brightening and control of dark excitons in monolayer WSe2 journal, June 2017

Emerging Photoluminescence in Monolayer MoS2 journal, April 2010

Spin and pseudospins in layered transition metal dichalcogenides journal, April 2014

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures journal, June 2012

Tunable excitons in bilayer graphene journal, November 2017

Diversity of trion states and substrate effects in the optical properties of an MoS2 monolayer
journal, December 2017

Tunable Magnetism and Half-Metallicity in Hole-Doped Monolayer GaSe
journal, June 2015

Optical and Excitonic Properties of Atomically Thin Transition-Metal Dichalcogenides
journal, March 2018

Defect-induced magnetism in graphene
journal, March 2007

Model dielectric function for 2D semiconductors including substrate screening
journal, January 2017

Unifying Optical Selection Rules for Excitons in Two Dimensions: Band Topology and Winding Numbers
journal, February 2018

Optical Signatures of Quantum Emitters in Suspended Hexagonal Boron Nitride
journal, February 2017

Theory of Exciton–Exciton Interactions in Monolayer Transition Metal Dichalcogenides
journal, July 2018

Orbital diamagnetism in multilayer graphenes: Systematic study with the effective mass approximation
journal, August 2007

Stacking-dependent band gap and quantum transport in trilayer graphene
journal, September 2011

Observation of an electrically tunable band gap in trilayer graphene
journal, September 2011

Valley-polarized exciton dynamics in a 2D semiconductor heterostructure
journal, February 2016

Tight-binding representation of the optical matrix elements: Theory and applications
journal, June 1993

Defect-Induced Modification of Low-Lying Excitons and Valley Selectivity in Monolayer Transition Metal Dichalcogenides
journal, October 2018

Large spin splitting in the conduction band of transition metal dichalcogenide monolayers
journal, December 2013

Optical spectrum of excitons in the crystal lattice
journal, April 1956

Orbital Symmetry and the Optical Response of Single-Layer MX Monochalcogenides
journal, February 2018

Evidence for wavelike energy transfer through quantum coherence in photosynthetic systems
journal, April 2007

First-Principles Theory of Quasiparticles: Calculation of Band Gaps in Semiconductors and Insulators
journal, September 1985

Environmental Screening Effects in 2D Materials: Renormalization of the Bandgap, Electronic Structure, and Optical Spectra of Few-Layer Black Phosphorus
journal, July 2017

2D materials and van der Waals heterostructures
journal, July 2016

Fundamentals of Condensed Matter Physics
book, January 2019

Probing excitonic dark states in single-layer tungsten disulphide
journal, August 2014

Ultrafast dynamics in van der Waals heterostructures
journal, November 2018

The electronic properties of graphene
journal, January 2009

Electrical control of neutral and charged excitons in a monolayer semiconductor
journal, February 2013

Optical matrix elements in tight-binding models with overlap
journal, September 2005

The renaissance of black phosphorus
journal, March 2015

Excitonic effects in two-dimensional semiconductors: Path integral Monte Carlo approach
journal, November 2015

Pure Carbon Nanoscale Devices: Nanotube Heterojunctions
journal, February 1996

Ultrafast time resolution in scanned probe microscopies
journal, November 1990

Giant bandgap renormalization and excitonic effects in a monolayer transition metal dichalcogenide semiconductor
journal, August 2014

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965

Electromagnetic fields and dielectric response in empirical tight-binding theory
journal, February 1995

Electric transport and magnetic properties in multilayer graphene
journal, January 2008

Multimodal spectromicroscopy of monolayer WS ₂ enabled by ultra-clean van der Waals epitaxy
journal, July 2018

Generalized Kadanoff-Baym ansatz for deriving quantum transport equations
journal, November 1986

Topological valley transport at bilayer graphene domain walls
journal, April 2015

New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem
journal, August 1965

Revealing the biexciton and trion-exciton complexes in BN encapsulated WSe2
journal, September 2018

Emerging photoluminescence from the dark-exciton phonon replica in monolayer WSe2
journal, June 2019

Efficient generation of neutral and charged biexcitons in encapsulated WSe2 monolayers
journal, September 2018

Polarization analysis of excitons in monolayer and bilayer transition-metal dichalcogenides
journal, September 2015

Stability and electronic structures of native defects in single-layer ${MoS}_{2}$
journal, May 2014

Exploring atomic defects in molybdenum disulphide monolayers
journal, February 2015

Probing ultrafast spin dynamics with optical pump–probe scanning tunnelling microscopy
journal, June 2014

Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides
journal, July 2019

Tightly bound trions in monolayer MoS2
journal, December 2012

Molecular-beam epitaxy of monolayer and bilayer WSe ₂ : a scanning tunneling microscopy/spectroscopy study and deduction of exciton binding energy
journal, June 2015

Valley Chern numbers and boundary modes in gapped bilayer graphene
journal, June 2013

The rise of graphene
journal, March 2007

Effective mass approximation for excitons
journal, September 1956

Optical matrix elements in tight-binding calculations
journal, May 2001

Intrinsic Structural Defects in Monolayer Molybdenum Disulfide
journal, May 2013

Observation of biexcitons in monolayer WSe2
journal, May 2015

Intensity of Optical Absorption by Excitons
journal, December 1957

Valleytronics in 2D materials
journal, August 2016

Defect Structure of Localized Excitons in a ${WSe}_{2}$ Monolayer
journal, July 2017

Quantum Emission from Defects in Single-Crystalline Hexagonal Boron Nitride
journal, March 2016

Theory of neutral and charged excitons in monolayer transition metal dichalcogenides
journal, July 2013

Electron-hole excitations and optical spectra from first principles
journal, August 2000

Application of the Green’s functions method to the study of the optical properties of semiconductors
journal, December 1988

Coupled Spin and Valley Physics in Monolayers of ${MoS}_{2}$ and Other Group-VI Dichalcogenides
journal, May 2012

Raman spectroscopy of graphene and graphite: Disorder, electron–phonon coupling, doping and nonadiabatic effects
journal, July 2007

Probing dark excitons in atomically thin semiconductors via near-field coupling to surface plasmon polaritons
journal, June 2017

Quantum Theory of the Dielectric Constant in Real Solids
journal, April 1962

Pseudospin magnetism in graphene
journal, January 2008

Charged excitons in monolayer ${WSe}_{2}$ : Experiment and theory
journal, August 2017

Chiral decomposition in the electronic structure of graphene multilayers
journal, April 2008

Erratum: Optical Spectrum of ${MoS}_{2}$ : Many-Body Effects and Diversity of Exciton States [Phys. Rev. Lett. 111 , 216805 (2013)]
journal, September 2015

Real-space imaging of transient carrier dynamics by nanoscale pump–probe microscopy
journal, October 2010

Probing the Role of Interlayer Coupling and Coulomb Interactions on Electronic Structure in Few-Layer MoSe ₂ Nanostructures
journal, March 2015

Solving the Kadanoff-Baym Equations for Inhomogeneous Systems: Application to Atoms and Molecules
journal, April 2007

Magnetic brightening and control of dark excitons in monolayer WSe2
journal, June 2017

Emerging Photoluminescence in Monolayer MoS₂
journal, April 2010

Spin and pseudospins in layered transition metal dichalcogenides
journal, April 2014

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures
journal, June 2012

Tunable excitons in bilayer graphene
journal, November 2017

In-Plane Propagation of Light in Transition Metal Dichalcogenide Monolayers: Optical Selection Rules
journal, July 2017

Charge-tuneable biexciton complexes in monolayer WSe2
journal, September 2018