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

Title: Unique Gap Structure and Symmetry of the Charge Density Wave in Single-Layer VSe 2

Abstract

Single layers of transition metal dichalcogenides (TMDCs) are great candidates for electronic applications beyond the graphene platform; many of them exhibit novel properties including charge density waves (CDWs) and magnetic ordering. CDWs in these single layers are typically a planar projection of the corresponding bulk CDWs because of the quasi-two-dimensional nature of TMDCs; a different CDW symmetry is unexpected. We report herein the successful creation of pristine single-layer VSe2, which shows a ($$\sqrt{7}×\sqrt{3}$$) CDW in contrast to the (4×4) CDW for the layers in bulk VSe2. Angle-resolved photoemission spectroscopy from the single layer shows a sizable ($$\sqrt{7}×\sqrt{3}$$) CDW gap of ~100 meV at the zone boundary, a 220 K CDW transition temperature twice the bulk value, and no ferromagnetic exchange splitting as predicted by theory. This robust CDW with an exotic broken symmetry as the ground state is explained via a first-principles analysis. The findings illustrate a unique CDW phenomenon in the two-dimensional limit.

Authors:
 [1];  [2];  [3];  [4];  [5];  [6];  [6];  [7]
  1. Univ. of Illinois at Urbana-Champaign, IL (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  2. National Taiwan Univ., Taipei (Taiwan)
  3. Academia Sinica, Taipei (Taiwan)
  4. Univ. of Illinois at Urbana-Champaign, IL (United States)
  5. National Taiwan Univ., Taipei (Taiwan); Academia Sinica, Taipei (Taiwan); Georgia Inst. of Technology, Atlanta, GA (United States)
  6. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  7. Univ. of Illinois at Urbana-Champaign, IL (United States); National Taiwan Univ., Taipei (Taiwan)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division; National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1571123
Alternate Identifier(s):
OSTI ID: 1481451
Grant/Contract Number:  
AC02-05CH11231; FG02-07ER46383
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 121; Journal Issue: 19; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; 36 MATERIALS SCIENCE

Citation Formats

Chen, P., Pai, Woei Wu, Chan, Y. -H., Madhavan, V., Chou, M. Y., Mo, S. -K., Fedorov, A. -V., and Chiang, T. -C. Unique Gap Structure and Symmetry of the Charge Density Wave in Single-Layer VSe2. United States: N. p., 2018. Web. doi:10.1103/PhysRevLett.121.196402.
Chen, P., Pai, Woei Wu, Chan, Y. -H., Madhavan, V., Chou, M. Y., Mo, S. -K., Fedorov, A. -V., & Chiang, T. -C. Unique Gap Structure and Symmetry of the Charge Density Wave in Single-Layer VSe2. United States. https://doi.org/10.1103/PhysRevLett.121.196402
Chen, P., Pai, Woei Wu, Chan, Y. -H., Madhavan, V., Chou, M. Y., Mo, S. -K., Fedorov, A. -V., and Chiang, T. -C. Fri . "Unique Gap Structure and Symmetry of the Charge Density Wave in Single-Layer VSe2". United States. https://doi.org/10.1103/PhysRevLett.121.196402. https://www.osti.gov/servlets/purl/1571123.
@article{osti_1571123,
title = {Unique Gap Structure and Symmetry of the Charge Density Wave in Single-Layer VSe2},
author = {Chen, P. and Pai, Woei Wu and Chan, Y. -H. and Madhavan, V. and Chou, M. Y. and Mo, S. -K. and Fedorov, A. -V. and Chiang, T. -C.},
abstractNote = {Single layers of transition metal dichalcogenides (TMDCs) are great candidates for electronic applications beyond the graphene platform; many of them exhibit novel properties including charge density waves (CDWs) and magnetic ordering. CDWs in these single layers are typically a planar projection of the corresponding bulk CDWs because of the quasi-two-dimensional nature of TMDCs; a different CDW symmetry is unexpected. We report herein the successful creation of pristine single-layer VSe2, which shows a ($\sqrt{7}×\sqrt{3}$) CDW in contrast to the (4×4) CDW for the layers in bulk VSe2. Angle-resolved photoemission spectroscopy from the single layer shows a sizable ($\sqrt{7}×\sqrt{3}$) CDW gap of ~100 meV at the zone boundary, a 220 K CDW transition temperature twice the bulk value, and no ferromagnetic exchange splitting as predicted by theory. This robust CDW with an exotic broken symmetry as the ground state is explained via a first-principles analysis. The findings illustrate a unique CDW phenomenon in the two-dimensional limit.},
doi = {10.1103/PhysRevLett.121.196402},
journal = {Physical Review Letters},
number = 19,
volume = 121,
place = {United States},
year = {Fri Nov 09 00:00:00 EST 2018},
month = {Fri Nov 09 00:00:00 EST 2018}
}

Journal Article:

Citation Metrics:
Cited by: 113 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

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
  • DOI: 10.1103/PhysRevLett.77.3865

Charge density wave transition in single-layer titanium diselenide
journal, November 2015

  • Chen, P.; Chan, Y. -H.; Fang, X. -Y.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms9943

Projector augmented-wave method
journal, December 1994


Strongly enhanced charge-density-wave order in monolayer NbSe2
journal, July 2015

  • Xi, Xiaoxiang; Zhao, Liang; Wang, Zefang
  • Nature Nanotechnology, Vol. 10, Issue 9, p. 765-769
  • DOI: 10.1038/nnano.2015.143

Pseudogap and Charge Density Waves in Two Dimensions
journal, May 2008


Erratum: Crossover of the three-dimensional topological insulator Bi2Se3 to the two-dimensional limit
journal, September 2010

  • Zhang, Yi; He, Ke; Chang, Cui-Zu
  • Nature Physics, Vol. 6, Issue 9
  • DOI: 10.1038/nphys1779

Dimensional Effects on the Charge Density Waves in Ultrathin Films of TiSe 2
journal, September 2016


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Interface-Induced High-Temperature Superconductivity in Single Unit-Cell FeSe Films on SrTiO 3
journal, March 2012


Strain engineering a 4 a × 3 a charge-density-wave phase in transition-metal dichalcogenide 1 T VS e 2
journal, July 2017


Correlated magnetic and transport properties in the charge-density-wave states of V Se 2
journal, April 1979


Persistent Charge-Density-Wave Order in Single-Layer TaSe 2
journal, January 2018


Strong room-temperature ferromagnetism in VSe2 monolayers on van der Waals substrates
journal, February 2018


Charge-density wave transition of 1 T V S e 2 studied by angle-resolved photoemission spectroscopy
journal, October 2003


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

Fermi-surface nesting and the origin of the charge-density wave in Nb Se 2
journal, May 2006


Three-Dimensional Electron Realm in VSe 2 by Soft-X-Ray Photoelectron Spectroscopy: Origin of Charge-Density Waves
journal, August 2012


Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystals
journal, April 2017


Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Charge-density-wave transitions in 1T-VSe 2
journal, January 1986

  • Eaglesham, D. J.; Withers, R. L.; Bird, D. M.
  • Journal of Physics C: Solid State Physics, Vol. 19, Issue 3
  • DOI: 10.1088/0022-3719/19/3/006

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

Ab initio molecular dynamics for open-shell transition metals
journal, November 1993


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


First principles phonon calculations in materials science
journal, November 2015


Large-scale uniform bilayer graphene prepared by vacuum graphitization of 6H-SiC(0001) substrates
journal, January 2013


Thickness dependence of the charge-density-wave transition temperature in VSe 2
journal, August 2014

  • Yang, Jiyong; Wang, Weike; Liu, Yan
  • Applied Physics Letters, Vol. 105, Issue 6
  • DOI: 10.1063/1.4893027

Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit
journal, June 2017

  • Huang, Bevin; Clark, Genevieve; Navarro-Moratalla, Efrén
  • Nature, Vol. 546, Issue 7657
  • DOI: 10.1038/nature22391

Phenomenology of the low-energy spectral function in high- T c superconductors
journal, May 1998


Charge-Density-Wave Mechanism in 2 H NbSe 2 : Photoemission Results
journal, May 1999


X-Ray Studies of Phonon Softening in TiSe 2
journal, April 2001


Characterization of collective ground states in single-layer NbSe2
journal, November 2015

  • Ugeda, Miguel M.; Bradley, Aaron J.; Zhang, Yi
  • Nature Physics, Vol. 12, Issue 1
  • DOI: 10.1038/nphys3527

Quasiparticle Spectra, Charge-Density Waves, Superconductivity, and Electron-Phonon Coupling in 2 H N b S e 2
journal, February 2004


Dimensional crossover of the charge density wave transition in thin exfoliated VSe 2
journal, September 2017

  • Pásztor, Árpád; Scarfato, Alessandro; Barreteau, Céline
  • 2D Materials, Vol. 4, Issue 4
  • DOI: 10.1088/2053-1583/aa86de

On the origin of charge-density waves in select layered transition-metal dichalcogenides
journal, May 2011


Unfolding spinor wave functions and expectation values of general operators: Introducing the unfolding-density operator
journal, January 2015


Electronic Structure and Enhanced Charge-Density Wave Order of Monolayer VSe 2
journal, June 2018


Effect of dimensionality on the charge-density wave in few-layer 2 H -NbSe 2
journal, December 2009


Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets
journal, May 2021


High-resolution X-ray luminescence extension imaging
journal, February 2021


An Information Theory-Inspired Strategy for Design of Re-programmable Encrypted Graphene-based Coding Metasurfaces at Terahertz Frequencies
journal, April 2018


Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect
journal, February 2020


Discovery of Intrinsic Ferromagnetism in Two-Dimensional van der Waals Crystals
conference, January 2017

  • Gong, Cheng; Li, Lin; Li, Zhenglu
  • CLEO: Applications and Technology, Conference on Lasers and Electro-Optics
  • DOI: 10.1364/cleo_at.2017.jth5c.2

X-Ray Studies of Phonon Softening in TiSe2
text, January 2001


Pseudogap and charge density waves in two dimensions
text, January 2007


The electronic properties of graphene
text, January 2007


Characterization of collective ground states in single-layer NbSe2
text, January 2015


First principles phonon calculations in materials science
preprint, January 2015


Strongly enhanced charge-density-wave order in monolayer NbSe$_2$
text, January 2015


Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit
text, January 2017


Works referencing / citing this record:

Van der Waals magnets: Wonder building blocks for two‐dimensional spintronics?
journal, October 2019

  • Zhang, Wen; Wong, Ping Kwan Johnny; Zhu, Rui
  • InfoMat, Vol. 1, Issue 4
  • DOI: 10.1002/inf2.12048

Interaction of VSe 2 with Ambient Gases: Stability and Chemical Reactivity
journal, July 2019

  • Edla, Raju; Kuo, Chia-Nung; Torelli, Piero
  • physica status solidi (RRL) – Rapid Research Letters, Vol. 14, Issue 2
  • DOI: 10.1002/pssr.201900332

Structural phase transitions in VSe 2 : energetics, electronic structure and magnetism
journal, January 2019

  • Pushkarev, Georgy V.; Mazurenko, Vladimir G.; Mazurenko, Vladimir V.
  • Physical Chemistry Chemical Physics, Vol. 21, Issue 40
  • DOI: 10.1039/c9cp03726h

VSe 2 nanosheets for ultrafast fiber lasers
journal, January 2020

  • Li, Lu; Pang, Lihui; Zhao, Qiyi
  • Journal of Materials Chemistry C, Vol. 8, Issue 3
  • DOI: 10.1039/c9tc06159b

Doping induced charge density wave in monolayer TiS 2 and phonon-mediated superconductivity
journal, January 2020

  • Liao, Ji-Hai; Zhao, Yin-Chang; Zhao, Yu-Jun
  • Journal of Applied Physics, Vol. 127, Issue 4
  • DOI: 10.1063/1.5135615

Memristive phase switching in two-dimensional 1T′-VSe 2 crystals
journal, January 2020

  • Sun, Yue; Dai, Tian; He, Zhihao
  • Applied Physics Letters, Vol. 116, Issue 3
  • DOI: 10.1063/1.5138964

Thickness-dependent magnetotransport properties in 1T VSe 2 single crystals prepared by chemical vapor deposition
journal, January 2020


Proximity-induced ferromagnetism and chemical reactivity in few-layer VSe 2 heterostructures
journal, January 2020


Dimensionality-Mediated Semimetal-Semiconductor Transition in Ultrathin PtTe 2 Films
journal, January 2020


Morphology Control of Epitaxial Monolayer Transition Metal Dichalcogenides
text, January 2019