Phonon-coupled ultrafast interlayer charge oscillation at van der Waals heterostructure interfaces
- Authors:
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1437079
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Name: Physical Review B Journal Volume: 97 Journal Issue: 20; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society
- Country of Publication:
- United States
- Language:
- English
Citation Formats
Zheng, Qijing, Xie, Yu, Lan, Zhenggang, Prezhdo, Oleg V., Saidi, Wissam A., and Zhao, Jin. Phonon-coupled ultrafast interlayer charge oscillation at van der Waals heterostructure interfaces. United States: N. p., 2018.
Web. doi:10.1103/PhysRevB.97.205417.
Zheng, Qijing, Xie, Yu, Lan, Zhenggang, Prezhdo, Oleg V., Saidi, Wissam A., & Zhao, Jin. Phonon-coupled ultrafast interlayer charge oscillation at van der Waals heterostructure interfaces. United States. https://doi.org/10.1103/PhysRevB.97.205417
Zheng, Qijing, Xie, Yu, Lan, Zhenggang, Prezhdo, Oleg V., Saidi, Wissam A., and Zhao, Jin. Mon .
"Phonon-coupled ultrafast interlayer charge oscillation at van der Waals heterostructure interfaces". United States. https://doi.org/10.1103/PhysRevB.97.205417.
@article{osti_1437079,
title = {Phonon-coupled ultrafast interlayer charge oscillation at van der Waals heterostructure interfaces},
author = {Zheng, Qijing and Xie, Yu and Lan, Zhenggang and Prezhdo, Oleg V. and Saidi, Wissam A. and Zhao, Jin},
abstractNote = {},
doi = {10.1103/PhysRevB.97.205417},
journal = {Physical Review B},
number = 20,
volume = 97,
place = {United States},
year = {Mon May 14 00:00:00 EDT 2018},
month = {Mon May 14 00:00:00 EDT 2018}
}
Free Publicly Available Full Text
Publisher's Version of Record
https://doi.org/10.1103/PhysRevB.97.205417
https://doi.org/10.1103/PhysRevB.97.205417
Other availability
Cited by: 60 works
Citation information provided by
Web of Science
Web of Science
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Novel hetero-layered materials with tunable direct band gaps by sandwiching different metal disulfides and diselenides
journal, March 2013
- Terrones, Humberto; López-Urías, Florentino; Terrones, Mauricio
- Scientific Reports, Vol. 3, Issue 1
Generalized Gradient Approximation Made Simple
journal, October 1996
- Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
- Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
The PYXAID Program for Non-Adiabatic Molecular Dynamics in Condensed Matter Systems
journal, October 2013
- Akimov, Alexey V.; Prezhdo, Oleg V.
- Journal of Chemical Theory and Computation, Vol. 9, Issue 11
Ab initio calculation of ideal strength and phonon instability of graphene under tension
journal, August 2007
- Liu, Fang; Ming, Pingbing; Li, Ju
- Physical Review B, Vol. 76, Issue 6
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
Strain-engineered artificial atom as a broad-spectrum solar energy funnel
journal, November 2012
- Feng, Ji; Qian, Xiaofeng; Huang, Cheng-Wei
- Nature Photonics, Vol. 6, Issue 12
Ultrafast Charge Separation and Indirect Exciton Formation in a MoS 2 –MoSe 2 van der Waals Heterostructure
journal, November 2014
- Ceballos, Frank; Bellus, Matthew Z.; Chiu, Hsin-Ying
- ACS Nano, Vol. 8, Issue 12
The role of collective motion in the ultrafast charge transfer in van der Waals heterostructures
journal, May 2016
- Wang, Han; Bang, Junhyeok; Sun, Yiyang
- Nature Communications, Vol. 7, Issue 1
Trajectory Surface Hopping in the Time-Dependent Kohn-Sham Approach for Electron-Nuclear Dynamics
journal, October 2005
- Craig, Colleen F.; Duncan, Walter R.; Prezhdo, Oleg V.
- Physical Review Letters, Vol. 95, Issue 16
Valley-polarized exciton dynamics in a 2D semiconductor heterostructure
journal, February 2016
- Rivera, P.; Seyler, K. L.; Yu, H.
- Science, Vol. 351, Issue 6274
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Materials properties of out-of-plane heterostructures of MoS 2 -WSe 2 and WS 2 -MoSe 2
journal, February 2016
- Amin, Bin; Kaloni, Thaneshwor P.; Schreckenbach, Georg
- Applied Physics Letters, Vol. 108, Issue 6
Theoretical Studies of Photoinduced Electron Transfer in Dye-Sensitized TiO 2
journal, May 2007
- Duncan, Walter R.; Prezhdo, Oleg V.
- Annual Review of Physical Chemistry, Vol. 58, Issue 1
Enhanced electron-phonon coupling in graphene with periodically distorted lattice
journal, January 2017
- Pomarico, E.; Mitrano, M.; Bromberger, H.
- Physical Review B, Vol. 95, Issue 2
Self-energy operators and exchange-correlation potentials in semiconductors
journal, June 1988
- Godby, R. W.; Schlüter, M.; Sham, L. J.
- Physical Review B, Vol. 37, Issue 17
Optically enhanced coherent transport in YBa2Cu3O6.5 by ultrafast redistribution of interlayer coupling
journal, May 2014
- Hu, W.; Kaiser, S.; Nicoletti, D.
- Nature Materials, Vol. 13, Issue 7
Stacked 2D materials shed light
journal, February 2015
- Wang, Xiaomu; Xia, Fengnian
- Nature Materials, Vol. 14, Issue 3
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
Electronic structures and optical properties of realistic transition metal dichalcogenide heterostructures from first principles
journal, August 2013
- Komsa, Hannu-Pekka; Krasheninnikov, Arkady V.
- Physical Review B, Vol. 88, Issue 8
Dynamics of the Photoexcited Electron at the Chromophore–Semiconductor Interface
journal, February 2008
- Prezhdo, Oleg V.; Duncan, Walter R.; Prezhdo, Victor V.
- Accounts of Chemical Research, Vol. 41, Issue 2
Quantum Coherence Facilitates Efficient Charge Separation at a MoS 2 /MoSe 2 van der Waals Junction
journal, February 2016
- Long, Run; Prezhdo, Oleg V.
- Nano Letters, Vol. 16, Issue 3
Probing excitonic dark states in single-layer tungsten disulphide
journal, August 2014
- Ye, Ziliang; Cao, Ting; O’Brien, Kevin
- Nature, Vol. 513, Issue 7517
Anomalous Light Cones and Valley Optical Selection Rules of Interlayer Excitons in Twisted Heterobilayers
journal, October 2015
- Yu, Hongyi; Wang, Yong; Tong, Qingjun
- Physical Review Letters, Vol. 115, Issue 18
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
Time-Domain Ab Initio Modeling of Photoinduced Dynamics at Nanoscale Interfaces
journal, April 2015
- Wang, Linjun; Long, Run; Prezhdo, Oleg V.
- Annual Review of Physical Chemistry, Vol. 66, Issue 1
Phonon-Assisted Ultrafast Charge Transfer at van der Waals Heterostructure Interface
journal, September 2017
- Zheng, Qijing; Saidi, Wissam A.; Xie, Yu
- Nano Letters, Vol. 17, Issue 10
Ab initiomolecular dynamics for liquid metals
journal, January 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 47, Issue 1, p. 558-561
Possible light-induced superconductivity in K3C60 at high temperature
journal, February 2016
- Mitrano, M.; Cantaluppi, A.; Nicoletti, D.
- Nature, Vol. 530, Issue 7591
Large excitonic effects in monolayers of molybdenum and tungsten dichalcogenides
journal, September 2012
- Ramasubramaniam, Ashwin
- Physical Review B, Vol. 86, Issue 11
Advanced Capabilities of the PYXAID Program: Integration Schemes, Decoherence Effects, Multiexcitonic States, and Field-Matter Interaction
journal, January 2014
- Akimov, Alexey V.; Prezhdo, Oleg V.
- Journal of Chemical Theory and Computation, Vol. 10, Issue 2
Corrections to density-functional theory band gaps
journal, December 1998
- Johnson, Kurt A.; Ashcroft, N. W.
- Physical Review B, Vol. 58, Issue 23
Exciton dynamics in monolayer transition metal dichalcogenides
journal, January 2016
- Moody, Galan; Schaibley, John; Xu, Xiaodong
- Journal of the Optical Society of America B, Vol. 33, Issue 7
Band alignment of two-dimensional transition metal dichalcogenides: Application in tunnel field effect transistors
journal, July 2013
- Gong, Cheng; Zhang, Hengji; Wang, Weihua
- Applied Physics Letters, Vol. 103, Issue 5
Atomically thin p–n junctions with van der Waals heterointerfaces
journal, August 2014
- Lee, Chul-Ho; Lee, Gwan-Hyoung; van der Zande, Arend M.
- Nature Nanotechnology, Vol. 9, Issue 9
Photoluminescence from Chemically Exfoliated MoS2
journal, December 2011
- Eda, Goki; Yamaguchi, Hisato; Voiry, Damien
- Nano Letters, Vol. 11, Issue 12, p. 5111-5116
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
Light-emitting diodes by band-structure engineering in van der Waals heterostructures
journal, February 2015
- Withers, F.; Del Pozo-Zamudio, O.; Mishchenko, A.
- Nature Materials, Vol. 14, Issue 3
Charge Transfer Excitons at van der Waals Interfaces
journal, June 2015
- Zhu, Xiaoyang; Monahan, Nicholas R.; Gong, Zizhou
- Journal of the American Chemical Society, Vol. 137, Issue 26
Ultrafast Dynamics of Photongenerated Holes at a CH 3 OH/TiO 2 Rutile Interface
journal, October 2016
- Chu, Weibin; Saidi, Wissam A.; Zheng, Qijing
- Journal of the American Chemical Society, Vol. 138, Issue 41
Role of Surface Termination on Hot Electron Relaxation in Silicon Quantum Dots: A First-Principles Dynamics Simulation Study
journal, September 2015
- Reeves, Kyle G.; Schleife, André; Correa, Alfredo A.
- Nano Letters, Vol. 15, Issue 10
Band offsets and heterostructures of two-dimensional semiconductors
journal, January 2013
- Kang, Jun; Tongay, Sefaattin; Zhou, Jian
- Applied Physics Letters, Vol. 102, Issue 1
Optical generation of excitonic valley coherence in monolayer WSe2
journal, August 2013
- Jones, Aaron M.; Yu, Hongyi; Ghimire, Nirmal J.
- Nature Nanotechnology, Vol. 8, Issue 9
Observation of Floquet-Bloch States on the Surface of a Topological Insulator
journal, October 2013
- Wang, Y. H.; Steinberg, H.; Jarillo-Herrero, P.
- Science, Vol. 342, Issue 6157, p. 453-457
On nonadiabatic coupling vectors in time-dependent density functional theory
journal, January 2009
- Tavernelli, Ivano; Curchod, Basile F. E.; Rothlisberger, Ursula
- The Journal of Chemical Physics, Vol. 131, Issue 19
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
Probing Evolution of Twist-Angle-Dependent Interlayer Excitons in MoSe 2 /WSe 2 van der Waals Heterostructures
journal, April 2017
- Nayak, Pramoda K.; Horbatenko, Yevhen; Ahn, Seongjoon
- ACS Nano, Vol. 11, Issue 4
Vertical and in-plane heterostructures from WS2/MoS2 monolayers
journal, September 2014
- Gong, Yongji; Lin, Junhao; Wang, Xingli
- Nature Materials, Vol. 13, Issue 12, p. 1135-1142
Extraordinary Sunlight Absorption and One Nanometer Thick Photovoltaics Using Two-Dimensional Monolayer Materials
journal, July 2013
- Bernardi, Marco; Palummo, Maurizia; Grossman, Jeffrey C.
- Nano Letters, Vol. 13, Issue 8, p. 3664-3670
Nonadiabatic couplings from time-dependent density functional theory. II. Successes and challenges of the pseudopotential approximation
journal, April 2008
- Hu, Chunping; Hirai, Hirotoshi; Sugino, Osamu
- The Journal of Chemical Physics, Vol. 128, Issue 15
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
Ab initio molecular dynamics for open-shell transition metals
journal, November 1993
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 48, Issue 17
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Exciton Binding Energy of Monolayer WS2
journal, March 2015
- Zhu, Bairen; Chen, Xi; Cui, Xiaodong
- Scientific Reports, Vol. 5, Issue 1
Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994
- Kresse, G.; Hafner, J.
- Physical Review B, Vol. 49, Issue 20, p. 14251-14269
Raman spectroscopic investigations on transition-metal dichalcogenides MX 2 (M = Mo, W; X = S, Se) at high pressures and low temperature : Raman spectroscopic investigations on MX
journal, September 2014
- Bhatt, Sandip V.; Deshpande, M. P.; Sathe, Vasant
- Journal of Raman Spectroscopy, Vol. 45, Issue 10
Electronic properties of the MoS -WS heterojunction
journal, February 2013
- Kośmider, K.; Fernández-Rossier, J.
- Physical Review B, Vol. 87, Issue 7
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
Ideal strength and phonon instability in single-layer MoS
journal, June 2012
- Li, Tianshu
- Physical Review B, Vol. 85, Issue 23
Tracking Primary Thermalization Events in Graphene with Photoemission at Extreme Time Scales
journal, August 2015
- Gierz, I.; Calegari, F.; Aeschlimann, S.
- Physical Review Letters, Vol. 115, Issue 8
Semiempirical GGA-type density functional constructed with a long-range dispersion correction
journal, January 2006
- Grimme, Stefan
- Journal of Computational Chemistry, Vol. 27, Issue 15, p. 1787-1799
Robust Stacking-Independent Ultrafast Charge Transfer in MoS 2 /WS 2 Bilayers
journal, October 2016
- Ji, Ziheng; Hong, Hao; Zhang, Jin
- ACS Nano, Vol. 11, Issue 12
Quasiparticle energies in semiconductors: Self-energy correction to the local-density approximation
journal, May 1989
- Gygi, F.; Baldereschi, A.
- Physical Review Letters, Vol. 62, Issue 18
Observation of Strong Interlayer Coupling in MoS 2 /WS 2 Heterostructures
journal, December 2015
- Zhang, Jing; Wang, Jinhuan; Chen, Peng
- Advanced Materials, Vol. 28, Issue 10
Photoinduced electron dynamics at the chromophore–semiconductor interface: A time-domain ab initio perspective
journal, March 2009
- Prezhdo, Oleg V.; Duncan, Walter R.; Prezhdo, Victor V.
- Progress in Surface Science, Vol. 84, Issue 1-2
Ab initio nonadiabatic molecular dynamics investigation on the dynamics of photogenerated spin hole current in Cu-doped
journal, October 2017
- Zhao, Chuanyu; Zheng, Qijing; Wu, Jianlan
- Physical Review B, Vol. 96, Issue 13
Molecular dynamics with electronic transitions
journal, July 1990
- Tully, John C.
- The Journal of Chemical Physics, Vol. 93, Issue 2
Highly efficient gate-tunable photocurrent generation in vertical heterostructures of layered materials
journal, October 2013
- Yu, Woo Jong; Liu, Yuan; Zhou, Hailong
- Nature Nanotechnology, Vol. 8, Issue 12
Exciton Binding Energy and Nonhydrogenic Rydberg Series in Monolayer
journal, August 2014
- Chernikov, Alexey; Berkelbach, Timothy C.; Hill, Heather M.
- Physical Review Letters, Vol. 113, Issue 7
Giant magnetic splitting inducing near-unity valley polarization in van der Waals heterostructures
journal, November 2017
- Nagler, Philipp; Ballottin, Mariana V.; Mitioglu, Anatolie A.
- Nature Communications, Vol. 8, Issue 1
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
Quasiparticle band structure calculation of monolayer, bilayer, and bulk MoS
journal, May 2012
- Cheiwchanchamnangij, Tawinan; Lambrecht, Walter R. L.
- Physical Review B, Vol. 85, Issue 20
Observation of long-lived interlayer excitons in monolayer MoSe2–WSe2 heterostructures
journal, February 2015
- Rivera, Pasqual; Schaibley, John R.; Jones, Aaron M.
- Nature Communications, Vol. 6, Issue 1
Interlayer orientation-dependent light absorption and emission in monolayer semiconductor stacks
journal, June 2015
- Heo, Hoseok; Sung, Ji Ho; Cha, Soonyoung
- Nature Communications, Vol. 6, Issue 1