Unique Gap Structure and Symmetry of the Charge Density Wave in Single-Layer VSe2

Chen, P.; Pai, Woei Wu; Chan, Y. -H.; Madhavan, V.; Chou, M. Y.; Mo, S. -K.; Fedorov, A. -V.; Chiang, T. -C.

doi:10.1103/PhysRevLett.121.196402

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

Journal Article · Fri Nov 09 00:00:00 EST 2018 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.121.196402· OSTI ID:1571123

Chen, P. ^[1]; Pai, Woei Wu ^[2]; Chan, Y. -H. ^[3]; Madhavan, V. ^[4]; Chou, M. Y. ^[5]; Mo, S. -K. ^[6]; Fedorov, A. -V. ^[6]; Chiang, T. -C. ^[7]

Univ. of Illinois at Urbana-Champaign, IL (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
National Taiwan Univ., Taipei (Taiwan)
Academia Sinica, Taipei (Taiwan)
Univ. of Illinois at Urbana-Champaign, IL (United States)
National Taiwan Univ., Taipei (Taiwan); Academia Sinica, Taipei (Taiwan); Georgia Inst. of Technology, Atlanta, GA (United States)
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Univ. of Illinois at Urbana-Champaign, IL (United States); National Taiwan Univ., Taipei (Taiwan)

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.

View Accepted Manuscript (DOE)

View Accepted Manuscript (Publisher)

Cite

Export

Save

Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: 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)

Grant/Contract Number:: AC02-05CH11231; FG02-07ER46383

OSTI ID:: 1571123

Alternate ID(s):: OSTI ID: 1481451

Journal Information:: Physical Review Letters, Vol. 121, Issue 19; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 113 works

Citation information provided by
Web of Science

References (54)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Charge density wave transition in single-layer titanium diselenide Chen, P.; Chan, Y. -H.; Fang, X. -Y. Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms9943	journal	November 2015
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Evidence of the Existence of Magnetism in Pristine VX ₂ Monolayers (X = S, Se) and Their Strain-Induced Tunable Magnetic Properties Ma, Yandong; Dai, Ying; Guo, Meng ACS Nano, Vol. 6, Issue 2 https://doi.org/10.1021/nn204667z	journal	January 2012
Strongly enhanced charge-density-wave order in monolayer NbSe₂ Xi, Xiaoxiang; Zhao, Liang; Wang, Zefang Nature Nanotechnology, Vol. 10, Issue 9, p. 765-769 https://doi.org/10.1038/nnano.2015.143	journal	July 2015
Pseudogap and Charge Density Waves in Two Dimensions Borisenko, S. V.; Kordyuk, A. A.; Yaresko, A. N. Physical Review Letters, Vol. 100, Issue 19 https://doi.org/10.1103/PhysRevLett.100.196402	journal	May 2008
Erratum: Crossover of the three-dimensional topological insulator Bi2Se3 to the two-dimensional limit Zhang, Yi; He, Ke; Chang, Cui-Zu Nature Physics, Vol. 6, Issue 9 https://doi.org/10.1038/nphys1779	journal	September 2010
Dimensional Effects on the Charge Density Waves in Ultrathin Films of TiSe ₂ Chen, P.; Chan, Y. -H.; Wong, M. -H. Nano Letters, Vol. 16, Issue 10 https://doi.org/10.1021/acs.nanolett.6b02710	journal	September 2016
From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Interface-Induced High-Temperature Superconductivity in Single Unit-Cell FeSe Films on SrTiO ₃ Wang, Qing-Yan; Li, Zhi; Zhang, Wen-Hao Chinese Physics Letters, Vol. 29, Issue 3 https://doi.org/10.1088/0256-307X/29/3/037402	journal	March 2012
Strain engineering a $4 a \times \sqrt 3 a$ charge-density-wave phase in transition-metal dichalcogenide $1 T − VS e_{2}$ Zhang, Duming; Ha, Jeonghoon; Baek, Hongwoo Physical Review Materials, Vol. 1, Issue 2 https://doi.org/10.1103/PhysRevMaterials.1.024005	journal	July 2017
Correlated magnetic and transport properties in the charge-density-wave states of V ${Se}_{2}$ Thompson, A. H.; Silbernagel, B. G. Physical Review B, Vol. 19, Issue 7 https://doi.org/10.1103/PhysRevB.19.3420	journal	April 1979
Persistent Charge-Density-Wave Order in Single-Layer TaSe ₂ Ryu, Hyejin; Chen, Yi; Kim, Heejung Nano Letters, Vol. 18, Issue 2 https://doi.org/10.1021/acs.nanolett.7b03264	journal	January 2018
Strong room-temperature ferromagnetism in VSe2 monolayers on van der Waals substrates Bonilla, Manuel; Kolekar, Sadhu; Ma, Yujing Nature Nanotechnology, Vol. 13, Issue 4 https://doi.org/10.1038/s41565-018-0063-9	journal	February 2018
Charge-density wave transition of $1 T {- V S e}_{2}$ studied by angle-resolved photoemission spectroscopy Terashima, K.; Sato, T.; Komatsu, H. Physical Review B, Vol. 68, Issue 15 https://doi.org/10.1103/PhysRevB.68.155108	journal	October 2003
The electronic properties of graphene Castro Neto, A. H.; Guinea, F.; Peres, N. M. R. Reviews of Modern Physics, Vol. 81, Issue 1, p. 109-162 https://doi.org/10.1103/RevModPhys.81.109	journal	January 2009
Fermi-surface nesting and the origin of the charge-density wave in $Nb {Se}_{2}$ Johannes, M.; Mazin, I.; Howells, C. Physical Review B, Vol. 73, Issue 20 https://doi.org/10.1103/PhysRevB.73.205102	journal	May 2006
Three-Dimensional Electron Realm in ${VSe}_{2}$ by Soft-X-Ray Photoelectron Spectroscopy: Origin of Charge-Density Waves Strocov, Vladimir N.; Shi, Ming; Kobayashi, Masaki Physical Review Letters, Vol. 109, Issue 8 https://doi.org/10.1103/PhysRevLett.109.086401	journal	August 2012
Discovery of intrinsic ferromagnetism in two-dimensional van der Waals crystals Gong, Cheng; Li, Lin; Li, Zhenglu Nature, Vol. 546, Issue 7657 https://doi.org/10.1038/nature22060	journal	April 2017
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Charge-density-wave transitions in 1T-VSe ₂ Eaglesham, D. J.; Withers, R. L.; Bird, D. M. Journal of Physics C: Solid State Physics, Vol. 19, Issue 3 https://doi.org/10.1088/0022-3719/19/3/006	journal	January 1986
Electronics and optoelectronics of two-dimensional transition metal dichalcogenides Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras Nature Nanotechnology, Vol. 7, Issue 11, p. 699-712 https://doi.org/10.1038/nnano.2012.193	journal	November 2012
Ab initio molecular dynamics for open-shell transition metals Kresse, G.; Hafner, J. Physical Review B, Vol. 48, Issue 17 https://doi.org/10.1103/PhysRevB.48.13115	journal	November 1993
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
First principles phonon calculations in materials science Togo, Atsushi; Tanaka, Isao Scripta Materialia, Vol. 108 https://doi.org/10.1016/j.scriptamat.2015.07.021	journal	November 2015
Large-scale uniform bilayer graphene prepared by vacuum graphitization of 6H-SiC(0001) substrates Wang, Qingyan; Zhang, Wenhao; Wang, Lili Journal of Physics: Condensed Matter, Vol. 25, Issue 9 https://doi.org/10.1088/0953-8984/25/9/095002	journal	January 2013
Effects of extrinsic and intrinsic perturbations on the electronic structure of graphene: Retaining an effective primitive cell band structure by band unfolding Medeiros, Paulo V. C.; Stafström, Sven; Björk, Jonas Physical Review B, Vol. 89, Issue 4 https://doi.org/10.1103/PhysRevB.89.041407	journal	January 2014
Thickness dependence of the charge-density-wave transition temperature in VSe ₂ Yang, Jiyong; Wang, Weike; Liu, Yan Applied Physics Letters, Vol. 105, Issue 6 https://doi.org/10.1063/1.4893027	journal	August 2014
Layer-dependent ferromagnetism in a van der Waals crystal down to the monolayer limit Huang, Bevin; Clark, Genevieve; Navarro-Moratalla, Efrén Nature, Vol. 546, Issue 7657 https://doi.org/10.1038/nature22391	journal	June 2017
Phenomenology of the low-energy spectral function in high- $T_{c}$ superconductors Norman, M. R.; Randeria, M.; Ding, H. Physical Review B, Vol. 57, Issue 18 https://doi.org/10.1103/PhysRevB.57.R11093	journal	May 1998
X-ray-diffraction study of the periodic lattice distortion associated with a charge-density wave in $1 T$ -V ${Se}_{2}$ Tsutsumi, K. Physical Review B, Vol. 26, Issue 10 https://doi.org/10.1103/PhysRevB.26.5756	journal	November 1982
Charge-Density-Wave Mechanism in $2 H - {NbSe}_{2}$ : Photoemission Results Straub, Th.; Finteis, Th.; Claessen, R. Physical Review Letters, Vol. 82, Issue 22 https://doi.org/10.1103/PhysRevLett.82.4504	journal	May 1999
X-Ray Studies of Phonon Softening in ${TiSe}_{2}$ Holt, M.; Zschack, P.; Hong, Hawoong Physical Review Letters, Vol. 86, Issue 17 https://doi.org/10.1103/PhysRevLett.86.3799	journal	April 2001
Characterization of collective ground states in single-layer NbSe2 Ugeda, Miguel M.; Bradley, Aaron J.; Zhang, Yi Nature Physics, Vol. 12, Issue 1 https://doi.org/10.1038/nphys3527	journal	November 2015
Quasiparticle Spectra, Charge-Density Waves, Superconductivity, and Electron-Phonon Coupling in $2 H − {N b S e}_{2}$ Valla, T.; Fedorov, A. V.; Johnson, P. D. Physical Review Letters, Vol. 92, Issue 8 https://doi.org/10.1103/PhysRevLett.92.086401	journal	February 2004
Dimensional crossover of the charge density wave transition in thin exfoliated VSe ₂ Pásztor, Árpád; Scarfato, Alessandro; Barreteau, Céline 2D Materials, Vol. 4, Issue 4 https://doi.org/10.1088/2053-1583/aa86de	journal	September 2017
On the origin of charge-density waves in select layered transition-metal dichalcogenides Rossnagel, K. Journal of Physics: Condensed Matter, Vol. 23, Issue 21 https://doi.org/10.1088/0953-8984/23/21/213001	journal	May 2011
Unfolding spinor wave functions and expectation values of general operators: Introducing the unfolding-density operator Medeiros, Paulo V. C.; Tsirkin, Stepan S.; Stafström, Sven Physical Review B, Vol. 91, Issue 4 https://doi.org/10.1103/PhysRevB.91.041116	journal	January 2015
Electronic Structure and Enhanced Charge-Density Wave Order of Monolayer VSe ₂ Feng, Jiagui; Biswas, Deepnarayan; Rajan, Akhil Nano Letters, Vol. 18, Issue 7 https://doi.org/10.1021/acs.nanolett.8b01649	journal	June 2018
Effect of dimensionality on the charge-density wave in few-layer $2 {H -NbSe}_{2}$ Calandra, Matteo; Mazin, I. I.; Mauri, Francesco Physical Review B, Vol. 80, Issue 24 https://doi.org/10.1103/PhysRevB.80.241108	journal	December 2009
Reducing Dzyaloshinskii-Moriya interaction and field-free spin-orbit torque switching in synthetic antiferromagnets Chen, Ruyi; Cui, Qirui; Liao, Liyang Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-23414-3	journal	May 2021
High-resolution X-ray luminescence extension imaging Ou, Xiangyu; Qin, Xian; Huang, Bolong Nature, Vol. 590, Issue 7846 https://doi.org/10.1038/s41586-021-03251-6	journal	February 2021
An Information Theory-Inspired Strategy for Design of Re-programmable Encrypted Graphene-based Coding Metasurfaces at Terahertz Frequencies Momeni, Ali; Rouhi, Kasra; Rajabalipanah, Hamid Scientific Reports, Vol. 8, Issue 1 https://doi.org/10.1038/s41598-018-24553-2	journal	April 2018
Electronic structure of AlFeN films exhibiting crystallographic orientation change from c- to a-axis with Fe concentrations and annealing effect Tatemizo, Nobuyuki; Imada, Saki; Okahara, Kizuna Scientific Reports, Vol. 10, Issue 1 https://doi.org/10.1038/s41598-020-58835-5	journal	February 2020
Discovery of Intrinsic Ferromagnetism in Two-Dimensional van der Waals Crystals Gong, Cheng; Li, Lin; Li, Zhenglu CLEO: Applications and Technology, Conference on Lasers and Electro-Optics https://doi.org/10.1364/cleo_at.2017.jth5c.2	conference	January 2017
X-Ray Studies of Phonon Softening in TiSe2 Chiang, T. -C.; Chou, M. Y.; Holt, M. The American Physical Society https://doi.org/10.17877/de290r-7104	text	January 2001
Pseudogap and charge density waves in two dimensions Borisenko, S. V.; Kordyuk, A. A.; Yaresko, A. N. arXiv https://doi.org/10.48550/arxiv.0704.1544	text	January 2007
The electronic properties of graphene Neto, A. H. Castro; Guinea, F.; Peres, N. M. R. arXiv https://doi.org/10.48550/arxiv.0709.1163	text	January 2007
Interface induced high temperature superconductivity in single unit-cell FeSe films on SrTiO3 Wang, Qing-Yan; Li, Zhi; Zhang, Wen-Hao arXiv https://doi.org/10.48550/arxiv.1201.5694	text	January 2012
Unfolding spinor wavefunctions and expectation values of general operators: Introducing the unfolding-density operator Medeiros, Paulo V. C.; Tsirkin, Stepan S.; Stafström, Sven arXiv https://doi.org/10.48550/arxiv.1409.5343	text	January 2014
Characterization of collective ground states in single-layer NbSe2 Ugeda, Miguel M.; Bradley, Aaron J.; Zhang, Yi arXiv https://doi.org/10.48550/arxiv.1506.08460	text	January 2015
First principles phonon calculations in materials science Togo, Atsushi; Tanaka, Isao arXiv https://doi.org/10.48550/arxiv.1506.08498	preprint	January 2015
Strongly enhanced charge-density-wave order in monolayer NbSe$_2$ Xi, Xiaoxiang; Zhao, Liang; Wang, Zefang arXiv https://doi.org/10.48550/arxiv.1507.05595	text	January 2015
Layer-dependent Ferromagnetism in a van der Waals Crystal down to the Monolayer Limit Huang, Bevin; Clark, Genevieve; Navarro-Moratalla, Efren arXiv https://doi.org/10.48550/arxiv.1703.05892	text	January 2017

Cited By (12)

Van der Waals magnets: Wonder building blocks for two‐dimensional spintronics? Zhang, Wen; Wong, Ping Kwan Johnny; Zhu, Rui InfoMat, Vol. 1, Issue 4 https://doi.org/10.1002/inf2.12048	journal	October 2019
Interaction of VSe ₂ with Ambient Gases: Stability and Chemical Reactivity Edla, Raju; Kuo, Chia-Nung; Torelli, Piero physica status solidi (RRL) – Rapid Research Letters, Vol. 14, Issue 2 https://doi.org/10.1002/pssr.201900332	journal	July 2019
Structural phase transitions in VSe ₂ : energetics, electronic structure and magnetism Pushkarev, Georgy V.; Mazurenko, Vladimir G.; Mazurenko, Vladimir V. Physical Chemistry Chemical Physics, Vol. 21, Issue 40 https://doi.org/10.1039/c9cp03726h	journal	January 2019
VSe ₂ nanosheets for ultrafast fiber lasers Li, Lu; Pang, Lihui; Zhao, Qiyi Journal of Materials Chemistry C, Vol. 8, Issue 3 https://doi.org/10.1039/c9tc06159b	journal	January 2020
Doping induced charge density wave in monolayer TiS ₂ and phonon-mediated superconductivity Liao, Ji-Hai; Zhao, Yin-Chang; Zhao, Yu-Jun Journal of Applied Physics, Vol. 127, Issue 4 https://doi.org/10.1063/1.5135615	journal	January 2020
Memristive phase switching in two-dimensional 1T′-VSe ₂ crystals Sun, Yue; Dai, Tian; He, Zhihao Applied Physics Letters, Vol. 116, Issue 3 https://doi.org/10.1063/1.5138964	journal	January 2020
Thickness-dependent magnetotransport properties in 1T VSe ₂ single crystals prepared by chemical vapor deposition Xue, Yunzhou; Zhang, Yi; Wang, Huichao Nanotechnology, Vol. 31, Issue 14 https://doi.org/10.1088/1361-6528/ab6478	journal	January 2020
Proximity-induced ferromagnetism and chemical reactivity in few-layer ${VSe}_{2}$ heterostructures Vinai, G.; Bigi, C.; Rajan, A. Physical Review B, Vol. 101, Issue 3 https://doi.org/10.1103/physrevb.101.035404	journal	January 2020
Dimensionality-Mediated Semimetal-Semiconductor Transition in Ultrathin ${PtTe}_{2}$ Films Lin, Meng-Kai; Villaos, Rovi Angelo B.; Hlevyack, Joseph A. Physical Review Letters, Vol. 124, Issue 3 https://doi.org/10.1103/physrevlett.124.036402	journal	January 2020
Theory and simulations of critical temperatures in CrI ₃ and other 2D materials: easy-axis magnetic order and easy-plane Kosterlitz–Thouless transitions Olsen, Thomas MRS Communications, Vol. 9, Issue 4 https://doi.org/10.1557/mrc.2019.117	journal	September 2019
Theory and simulations of critical temperatures in CrI3 and other 2D materials: Easy-axis magnetic order and easy-plane Kosterlitz-Thouless transitions Olsen, Thomas arXiv https://doi.org/10.48550/arxiv.1908.11115	text	January 2019
Morphology Control of Epitaxial Monolayer Transition Metal Dichalcogenides Rajan, Akhil; Underwood, Kaycee; Mazzola, Federico arXiv https://doi.org/10.48550/arxiv.1910.03307	text	January 2019

Similar Records

Competing magnetic and nonmagnetic states in monolayer VSe₂ with charge density wave

Journal Article · Thu Aug 11 00:00:00 EDT 2022 · Physical Review. B · OSTI ID:1571123

Yin, Li; Berlijn, Tom; Juneja, Rinkle; +2 more

Dimensional crossover and symmetry transformation of charge density waves in VSe2

Journal Article · Fri Apr 29 00:00:00 EDT 2022 · Physical Review. B · OSTI ID:1571123

Chen, P.; Chan, Y. -H.; Liu, R. -Y.; +5 more

Highly Tunable Magnetic Phases in Transition-Metal Dichalcogenide

{Fe}_{1 / 3 + δ} {NbS}_{2}

Journal Article · Tue Apr 05 00:00:00 EDT 2022 · Physical Review. X · OSTI ID:1571123

Wu, Shan; Xu, Zhijun; Haley, Shannon C.; +9 more

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
36 MATERIALS SCIENCE

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

Citation Formats

References (54)

Cited By (12)

Similar Records

Related Subjects

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