DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Dynamics of Symmetry-Breaking Stacking Boundaries in Bilayer MoS2

Abstract

Crystal symmetry of two-dimensional (2D) materials plays an important role in their electronic and optical properties. Engineering symmetry in 2D materials has recently emerged as a promising way to achieve novel properties and functions. The noncentrosymmetric structure of monolayer transition metal dichalcogenides (TMDCs), such as molybdenum disulfide (MoS2), has allowed for valley control via circularly polarized optical excitation. In bilayer TMDCs, inversion symmetry can be controlled by varying the stacking sequence, thus providing a pathway to engineer valley selectivity. Here, we report the in situ integration of AA' and AB stacked bilayer MoS2 with different inversion symmetries by creating atomically sharp stacking boundaries between the differently stacked domains, via thermal stimulation and electron irradiation, inside an atomic-resolution scanning transmission electron microscopy. The setup enables us to track the formation and atomic motion of the stacking boundaries in real time and with ultrahigh resolution which enables in-depth analysis on the atomic structure at the boundaries. In conjunction with density functional theory calculations, we establish the dynamics of the boundary nucleation and expansion and further identify metallic boundary states. Our approach provides a means to synthesize domain boundaries with intriguing transport properties and opens up a new avenue for controlling valleytronics inmore » nanoscale domains via real-time patterning of domains with different symmetry properties.« less

Authors:
ORCiD logo [1];  [1]; ORCiD logo [1];  [2];  [2];  [3];  [1];  [1]
  1. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  3. Univ. of California, Berkeley, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1506280
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 121; Journal Issue: 40; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Yan, Aiming, Ong, Chin Shen, Qiu, Diana Y., Ophus, Colin, Ciston, Jim, Merino, Christian, Louie, Steven G., and Zettl, Alex. Dynamics of Symmetry-Breaking Stacking Boundaries in Bilayer MoS2. United States: N. p., 2017. Web. doi:10.1021/acs.jpcc.7b08398.
Yan, Aiming, Ong, Chin Shen, Qiu, Diana Y., Ophus, Colin, Ciston, Jim, Merino, Christian, Louie, Steven G., & Zettl, Alex. Dynamics of Symmetry-Breaking Stacking Boundaries in Bilayer MoS2. United States. https://doi.org/10.1021/acs.jpcc.7b08398
Yan, Aiming, Ong, Chin Shen, Qiu, Diana Y., Ophus, Colin, Ciston, Jim, Merino, Christian, Louie, Steven G., and Zettl, Alex. Fri . "Dynamics of Symmetry-Breaking Stacking Boundaries in Bilayer MoS2". United States. https://doi.org/10.1021/acs.jpcc.7b08398. https://www.osti.gov/servlets/purl/1506280.
@article{osti_1506280,
title = {Dynamics of Symmetry-Breaking Stacking Boundaries in Bilayer MoS2},
author = {Yan, Aiming and Ong, Chin Shen and Qiu, Diana Y. and Ophus, Colin and Ciston, Jim and Merino, Christian and Louie, Steven G. and Zettl, Alex},
abstractNote = {Crystal symmetry of two-dimensional (2D) materials plays an important role in their electronic and optical properties. Engineering symmetry in 2D materials has recently emerged as a promising way to achieve novel properties and functions. The noncentrosymmetric structure of monolayer transition metal dichalcogenides (TMDCs), such as molybdenum disulfide (MoS2), has allowed for valley control via circularly polarized optical excitation. In bilayer TMDCs, inversion symmetry can be controlled by varying the stacking sequence, thus providing a pathway to engineer valley selectivity. Here, we report the in situ integration of AA' and AB stacked bilayer MoS2 with different inversion symmetries by creating atomically sharp stacking boundaries between the differently stacked domains, via thermal stimulation and electron irradiation, inside an atomic-resolution scanning transmission electron microscopy. The setup enables us to track the formation and atomic motion of the stacking boundaries in real time and with ultrahigh resolution which enables in-depth analysis on the atomic structure at the boundaries. In conjunction with density functional theory calculations, we establish the dynamics of the boundary nucleation and expansion and further identify metallic boundary states. Our approach provides a means to synthesize domain boundaries with intriguing transport properties and opens up a new avenue for controlling valleytronics in nanoscale domains via real-time patterning of domains with different symmetry properties.},
doi = {10.1021/acs.jpcc.7b08398},
journal = {Journal of Physical Chemistry. C},
number = 40,
volume = 121,
place = {United States},
year = {Fri Sep 15 00:00:00 EDT 2017},
month = {Fri Sep 15 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 17 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

Strain solitons and topological defects in bilayer graphene
journal, June 2013

  • Alden, J. S.; Tsen, A. W.; Huang, P. Y.
  • Proceedings of the National Academy of Sciences, Vol. 110, Issue 28
  • DOI: 10.1073/pnas.1309394110

Dislocations in bilayer graphene
journal, December 2013

  • Butz, Benjamin; Dolle, Christian; Niekiel, Florian
  • Nature, Vol. 505, Issue 7484
  • DOI: 10.1038/nature12780

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


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

Topological Edge States at a Tilt Boundary in Gated Multilayer Graphene
journal, June 2013


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


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


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

The valley Hall effect in MoS2 transistors
journal, June 2014


Electrical control of the valley Hall effect in bilayer MoS2 transistors
journal, January 2016


Valley and band structure engineering of folded MoS2 bilayers
journal, August 2014


Tailoring the Electronic Structure in Bilayer Molybdenum Disulfide via Interlayer Twist
journal, June 2014

  • van der Zande, Arend M.; Kunstmann, Jens; Chernikov, Alexey
  • Nano Letters, Vol. 14, Issue 7
  • DOI: 10.1021/nl501077m

Probing the Interlayer Coupling of Twisted Bilayer MoS 2 Using Photoluminescence Spectroscopy
journal, September 2014

  • Huang, Shengxi; Ling, Xi; Liang, Liangbo
  • Nano Letters, Vol. 14, Issue 10
  • DOI: 10.1021/nl5014597

Valley-dependent spin polarization in bulk MoS2 with broken inversion symmetry
journal, July 2014


Rapid and Nondestructive Identification of Polytypism and Stacking Sequences in Few-Layer Molybdenum Diselenide by Raman Spectroscopy
journal, July 2015

  • Lu, Xin; Utama, M. Iqbal Bakti; Lin, Junhao
  • Advanced Materials, Vol. 27, Issue 30
  • DOI: 10.1002/adma.201501086

Evolution of interlayer coupling in twisted molybdenum disulfide bilayers
journal, September 2014

  • Liu, Kaihui; Zhang, Liming; Cao, Ting
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms5966

Spectroscopic Signatures of AA′ and AB Stacking of Chemical Vapor Deposited Bilayer MoS 2
journal, October 2015


Grains and grain boundaries in highly crystalline monolayer molybdenum disulphide
journal, May 2013

  • van der Zande, Arend M.; Huang, Pinshane Y.; Chenet, Daniel A.
  • Nature Materials, Vol. 12, Issue 6, p. 554-561
  • DOI: 10.1038/nmat3633

Vapour phase growth and grain boundary structure of molybdenum disulphide atomic layers
journal, June 2013

  • Najmaei, Sina; Liu, Zheng; Zhou, Wu
  • Nature Materials, Vol. 12, Issue 8, p. 754-759
  • DOI: 10.1038/nmat3673

Transfer of CVD-Grown Monolayer Graphene onto Arbitrary Substrates
journal, August 2011

  • Suk, Ji Won; Kitt, Alexander; Magnuson, Carl W.
  • ACS Nano, Vol. 5, Issue 9
  • DOI: 10.1021/nn201207c

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

Atomic mechanism of the semiconducting-to-metallic phase transition in single-layered MoS2
journal, April 2014

  • Lin, Yung-Chang; Dumcenco, Dumitru O.; Huang, Ying-Sheng
  • Nature Nanotechnology, Vol. 9, Issue 5
  • DOI: 10.1038/nnano.2014.64

Two-Dimensional Transition Metal Dichalcogenides under Electron Irradiation: Defect Production and Doping
journal, July 2012


Advanced Computing in Electron Microscopy
book, January 2010


Detailed Atomic Reconstruction of Extended Line Defects in Monolayer MoS 2
journal, May 2016


QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Control of Radiation Damage in MoS 2 by Graphene Encapsulation
journal, October 2013

  • Zan, Recep; Ramasse, Quentin M.; Jalil, Rashid
  • ACS Nano, Vol. 7, Issue 11
  • DOI: 10.1021/nn4044035

Edge-dependent structural, electronic and magnetic properties of MoS2 nanoribbons
journal, January 2012

  • Pan, Hui; Zhang, Yong-Wei
  • Journal of Materials Chemistry, Vol. 22, Issue 15
  • DOI: 10.1039/c2jm15906f

Predicting Dislocations and Grain Boundaries in Two-Dimensional Metal-Disulfides from the First Principles
journal, December 2012

  • Zou, Xiaolong; Liu, Yuanyue; Yakobson, Boris I.
  • Nano Letters, Vol. 13, Issue 1, p. 253-258
  • DOI: 10.1021/nl3040042

Theory of quasiparticle energies in alkali metals
journal, August 1987

  • Northrup, John E.; Hybertsen, Mark S.; Louie, Steven G.
  • Physical Review Letters, Vol. 59, Issue 7
  • DOI: 10.1103/PhysRevLett.59.819

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


Optical Spectrum of MoS 2 : Many-Body Effects and Diversity of Exciton States
journal, November 2013


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


Works referencing / citing this record:

Peculiar alignment and strain of 2D WSe 2 grown by van der Waals epitaxy on reconstructed sapphire surfaces
journal, September 2019

  • Mortelmans, Wouter; El Kazzi, Salim; Nalin Mehta, Ankit
  • Nanotechnology, Vol. 30, Issue 46
  • DOI: 10.1088/1361-6528/ab3c9b

Differentiating Polymorphs in Molybdenum Disulfide via Electron Microscopy
journal, August 2018


Atomically Sharp Dual Grain Boundaries in 2D WS 2 Bilayers
journal, August 2019


Healing of Planar Defects in 2D Materials via Grain Boundary Sliding
journal, February 2019