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Title: Dimensional crossover and symmetry transformation of charge density waves in VSe 2

Journal Article · · Physical Review. B
ORCiD logo [1];  [2];  [3];  [1];  [1];  [4];  [5]; ORCiD logo [6]
  1. Shanghai Jiao Tong Univ. (China)
  2. Academia Sinica, Taipei (Taiwan); National Center for Theoretical Sciences, Taipei (Taiwan)
  3. Univ. of Illinois at Urbana-Champaign, IL (United States); National Synchrotron Radiation Research Center, Hsinchu (Taiwan)
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
  5. Academia Sinica, Taipei (Taiwan); National Taiwan Univ., Taipei (Taiwan); Georgia Institute of Technology, Atlanta, GA (United States)
  6. Univ. of Illinois at Urbana-Champaign, IL (United States)

Collective phenomena in solids can be sensitive to the dimensionality of the system; a case of special interest is VSe2, which shows a (√7×√3) charge density wave (CDW) in the single layer with threefold symmetry in the normal phase spontaneously broken, in contrast to the (4×4) in-plane CDW in the bulk. Angle-resolved photoemission spectroscopy (ARPES) from VSe2 ranging from a single layer to the bulk reveals the evolution of the electronic structure including the Fermi surface contours and the CDW gap. At a thickness of two layers, the ARPES maps are already nearly bulklike, but the transition temperature TC for the (4×4) CDW is much higher than the bulk value of 110 K. These results can be understood as due to dimensional crossover of phonon instability driven by a competition of nesting vectors. Here, in this letter, we provide key insights into the CDW mechanisms and offer a perspective in the search and control of emergent phases in quantum materials.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division; Ministry of Science and Technology of China; Science and Technology Commission of Shanghai Municipality; National Center for Theoretical Sciences (NCTS)
Grant/Contract Number:
AC02-05CH11231; FG02-07ER46383; 2021YFE0194100; 21JC1403000; 110-2124-M-002-012
OSTI ID:
1959977
Journal Information:
Physical Review. B, Vol. 105, Issue 16; ISSN 2469-9950
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (42)

Generalized Gradient Approximation Made Simple journal October 1996
Emergence of a Metal–Insulator Transition and High-Temperature Charge-Density Waves in VSe 2 at the Monolayer Limit journal July 2018
Angle-resolved photoemission, valence-band dispersions E ( k ) , and electron and hole lifetimes for GaAs journal April 1980
Charge-Density Wave and Superconducting Dome in TiSe 2 from Electron-Phonon Interaction journal May 2011
Charge density wave transition in single-layer titanium diselenide journal November 2015
Correlating structural, electronic, and magnetic properties of epitaxial V Se 2 thin films journal September 2020
Projector augmented-wave method journal December 1994
Observation of the quantum spin Hall effect up to 100 kelvin in a monolayer crystal journal January 2018
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
Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe2 journal December 2013
Unique Gap Structure and Symmetry of the Charge Density Wave in Single-Layer VSe 2 journal November 2018
Strongly enhanced charge-density-wave order in monolayer NbSe2 journal July 2015
Pseudogap and Charge Density Waves in Two Dimensions journal May 2008
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides journal November 2012
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
From ultrasoft pseudopotentials to the projector augmented-wave method journal January 1999
Large-scale uniform bilayer graphene prepared by vacuum graphitization of 6H-SiC(0001) substrates journal January 2013
Strain engineering a 4 a × 3 a charge-density-wave phase in transition-metal dichalcogenide 1 T VS e 2 journal July 2017
Persistent Charge-Density-Wave Order in Single-Layer TaSe 2 journal January 2018
Charge density wave phase of VSe 2 revisited journal March 2019
Competition Between Antiferromagnetic and Charge-Density-Wave Order in the Half-Filled Hubbard-Holstein Model journal December 2012
Quantum spin Hall effect in two-dimensional transition metal dichalcogenides journal November 2014
Charge Instability in Single-Layer TiTe 2 Mediated by van der Waals Bonding to Substrates journal October 2020
Charge-density wave transition of 1 T V S e 2 studied by angle-resolved photoemission spectroscopy journal October 2003
Phenomenology of the low-energy spectral function in high- T c superconductors journal May 1998
X-ray-diffraction study of the periodic lattice distortion associated with a charge-density wave in 1 T -V Se 2 journal November 1982
Superconductivity in CuxTiSe2 journal July 2006
X-Ray Studies of Phonon Softening in TiSe 2 journal April 2001
Characterization of collective ground states in single-layer NbSe2 journal November 2015
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
Fermi-surface nesting and the origin of the charge-density wave in Nb Se 2 journal May 2006
Direct observation of competition between superconductivity and charge density wave order in YBa2Cu3O6.67 journal October 2012
On the origin of charge-density waves in select layered transition-metal dichalcogenides journal May 2011
Electronic Structure and Enhanced Charge-Density Wave Order of Monolayer VSe 2 journal June 2018
A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu journal April 2010
Effect of dimensionality on the charge-density wave in few-layer 2 H -NbSe 2 journal December 2009
Three-Dimensional Electron Realm in VSe 2 by Soft-X-Ray Photoelectron Spectroscopy: Origin of Charge-Density Waves journal August 2012
Angle-resolved photoemission studies of the cuprate superconductors journal April 2003

Figures / Tables (4)