Two-step charge density wave transition and hidden transient phase in 1T–TiSe2

Amin, Ruhul; Pandey, Jyoti; Beyer, Kevin; Petkov, Valeri

doi:10.1103/physrevb.109.144106

Two-step charge density wave transition and hidden transient phase in 1T– TiSe2

Journal Article · Tue Apr 09 00:00:00 EDT 2024 · Physical Review. B

DOI:https://doi.org/10.1103/physrevb.109.144106· OSTI ID:2337944

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Central Michigan Univ., Mount Pleasant, MI (United States); Central Michigan University
Central Michigan Univ., Mount Pleasant, MI (United States); SGT University, Gurugram (India)
Argonne National Laboratory (ANL), Argonne, IL (United States)
Central Michigan Univ., Mount Pleasant, MI (United States)

Using variable temperature atomic pair distribution function analysis, we study the emergence of charge density wave (CDW) order in 1T-TiSe₂ and find that it takes place via a two-step transition. First, upon decreasing temperature to about 235(3) K, CDW related lattice distortions emerge in the individual TiSe₂ layers alone. Then, upon further decreasing the temperature, the two-dimensional distortions in the layers couple and the widely recognized three-dimensional 2a_o x 2a_o x 2c_o superstructure emerges at about 205(3) K. Because two different band gaps are known to emerge at the same temperatures, the finding indicates the presence of strong electron-phonon coupling. The transient phase between the two steps lacks inversion symmetry and may serve as a precursor of the debated chiral 1T-TiSe₂ phase. Finally, our findings are important for the understanding of the enigmatic CDW transition in 1T-TiSe₂ and CDW instabilities in van der Waals materials in general.

View Accepted Manuscript (DOE)

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States); Central Michigan Univ., Mount Pleasant, MI (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357; SC0021973

OSTI ID:: 2337944

Alternate ID(s):: OSTI ID: 2341872
OSTI ID: 2473811

Journal Information:: Physical Review. B, Journal Name: Physical Review. B Journal Issue: 14 Vol. 109; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

References (63)

Concerning the semimetallic characters of TiS2 and TiSe2 Wilson, John A. Solid State Communications, Vol. 22, Issue 9 https://doi.org/10.1016/0038-1098(77)90133-8	journal	June 1977
Analogies between the concepts of molecular chemistry and solid-state physics concerning structural instabilities. Electronic origin of the structural modulations in layered transition metal dichalcogenides Whangbo, Myung Hwan; Canadell, Enric Journal of the American Chemical Society, Vol. 114, Issue 24 https://doi.org/10.1021/ja00050a044	journal	November 1992
2D transition metal dichalcogenides Manzeli, Sajedeh; Ovchinnikov, Dmitry; Pasquier, Diego Nature Reviews Materials, Vol. 2, Issue 8 https://doi.org/10.1038/natrevmats.2017.33	journal	June 2017
Self-amplified photo-induced gap quenching in a correlated electron material Mathias, S.; Eich, S.; Urbancic, J. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms12902	journal	October 2016
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
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
Direct observation of competition between superconductivity and charge density wave order in YBa2Cu3O6.67 Chang, J.; Blackburn, E.; Holmes, A. T. Nature Physics, Vol. 8, Issue 12 https://doi.org/10.1038/nphys2456	journal	October 2012
Superconductivity in CuxTiSe2 Morosan, E.; Zandbergen, H. W.; Dennis, B. S. Nature Physics, Vol. 2, Issue 8 https://doi.org/10.1038/nphys360	journal	July 2006
Robust charge-density wave strengthened by electron correlations in monolayer 1T-TaSe2 and 1T-NbSe2 Nakata, Yuki; Sugawara, Katsuaki; Chainani, Ashish Nature Communications, Vol. 12, Issue 1 https://doi.org/10.1038/s41467-021-26105-1	journal	October 2021
Crystallization of polarons through charge and spin ordering transitions in 1T-TaS2 Bozin, E. S.; Abeykoon, M.; Conradson, S. Nature Communications, Vol. 14, Issue 1 https://doi.org/10.1038/s41467-023-42631-6	journal	November 2023
Spontaneous gyrotropic electronic order in a transition-metal dichalcogenide Xu, Su-Yang; Ma, Qiong; Gao, Yang Nature, Vol. 578, Issue 7796 https://doi.org/10.1038/s41586-020-2011-8	journal	February 2020
Discovery of charge density wave in a kagome lattice antiferromagnet Teng, Xiaokun; Chen, Lebing; Ye, Feng Nature, Vol. 609, Issue 7927 https://doi.org/10.1038/s41586-022-05034-z	journal	September 2022
Hidden Order and Dimensional Crossover of the Charge Density Waves in TiSe2 Chen, P.; Chan, Y. -H.; Fang, X. -Y. Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep37910	journal	November 2016
Superconductivity induced by Se-doping in layered charge-density-wave system 1 T -TaS ₂₋ _x Se _x Liu, Y.; Ang, R.; Lu, W. J. Applied Physics Letters, Vol. 102, Issue 19 https://doi.org/10.1063/1.4805003	journal	May 2013
Electronic crystals: an experimental overview Monceau, Pierre Advances in Physics, Vol. 61, Issue 4 https://doi.org/10.1080/00018732.2012.719674	journal	August 2012
Charge-density waves and superlattices in the metallic layered transition metal dichalcogenides Wilson, J. A.; Di Salvo, F. J.; Mahajan, S. Advances in Physics, Vol. 24, Issue 2 https://doi.org/10.1080/00018737500101391	journal	March 1975
Structural distortion in TiSe ₂ and related materials-a possible Jahn-Teller effect? Hughes, H. P. Journal of Physics C: Solid State Physics, Vol. 10, Issue 11 https://doi.org/10.1088/0022-3719/10/11/009	journal	June 1977
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
Genesis of the periodic lattice distortions in the charge density wave state of 2 H − TaS e 2 Petkov, Valeri; Chapagain, Kamal; Shastri, Sarvjit Physical Review B, Vol. 101, Issue 12 https://doi.org/10.1103/PhysRevB.101.121114	journal	March 2020
Evidence for pseudo–Jahn-Teller distortions in the charge density wave phase of 1 T − TiSe 2 Wegner, A.; Zhao, J.; Li, J. Physical Review B, Vol. 101, Issue 19 https://doi.org/10.1103/PhysRevB.101.195145	journal	May 2020
Exotic bonding interactions and coexistence of chemically distinct periodic lattice distortions in the charge density wave compound Ta T e 2 Petkov, Valeri; Chapagain, Kamal; Yang, Junjie Physical Review B, Vol. 102, Issue 2 https://doi.org/10.1103/PhysRevB.102.024111	journal	July 2020
Charge density wave and superconductivity competition in Lu5Ir4Si10 : A proton irradiation study Leroux, Maxime; Mishra, Vivek; Opagiste, Christine Physical Review B, Vol. 102, Issue 9 https://doi.org/10.1103/PhysRevB.102.094519	journal	September 2020
Attractive Coulomb interaction, temperature-dependent hybridization, and natural circular dichroism in 1T−TiSe2 Chuang, C. W.; Tanaka, Y.; Oura, M. Physical Review B, Vol. 102, Issue 19 https://doi.org/10.1103/PhysRevB.102.195102	journal	November 2020
Photoinduced chiral charge density wave in TiSe2 Wickramaratne, Darshana; Subedi, Sujan; Torchinsky, Darius H. Physical Review B, Vol. 105, Issue 5 https://doi.org/10.1103/PhysRevB.105.054102	journal	February 2022
Electronic properties and superlattice formation in the semimetal TiSe 2 Di Salvo, F. J.; Moncton, D. E.; Waszczak, J. V. Physical Review B, Vol. 14, Issue 10 https://doi.org/10.1103/PhysRevB.14.4321	journal	November 1976
Band structure and lattice instability of Ti Se 2 Zunger, Alex; Freeman, A. J. Physical Review B, Vol. 17, Issue 4 https://doi.org/10.1103/PhysRevB.17.1839	journal	February 1978
Charge-density-wave phase transition in 1 T − TiSe 2 : Excitonic insulator versus band-type Jahn-Teller mechanism Rossnagel, K.; Kipp, L.; Skibowski, M. Physical Review B, Vol. 65, Issue 23 https://doi.org/10.1103/PhysRevB.65.235101	journal	May 2002
Exciton-phonon-driven charge density wave in TiSe 2 van Wezel, Jasper; Nahai-Williamson, Paul; Saxena, Siddarth S. Physical Review B, Vol. 81, Issue 16 https://doi.org/10.1103/PhysRevB.81.165109	journal	April 2010
Charge-parity symmetry observed through Friedel oscillations in chiral charge-density waves Ishioka, J.; Fujii, T.; Katono, K. Physical Review B, Vol. 84, Issue 24 https://doi.org/10.1103/PhysRevB.84.245125	journal	December 2011
Charge density wave fluctuations, heavy electrons, and superconductivity in KNi 2 S 2 Neilson, James R.; McQueen, Tyrel M.; Llobet, Anna Physical Review B, Vol. 87, Issue 4 https://doi.org/10.1103/PhysRevB.87.045124	journal	January 2013
Chiral charge order in 1 T -TiSe 2 : Importance of lattice degrees of freedom Zenker, B.; Fehske, H.; Beck, H. Physical Review B, Vol. 88, Issue 7 https://doi.org/10.1103/PhysRevB.88.075138	journal	August 2013
Electronic and vibrational properties of TiSe 2 in the charge-density-wave phase from first principles Bianco, Raffaello; Calandra, Matteo; Mauri, Francesco Physical Review B, Vol. 92, Issue 9 https://doi.org/10.1103/PhysRevB.92.094107	journal	September 2015
X-ray study of the charge-density-wave transition in single-layer TiS e 2 Fang, Xin-Yue; Hong, Hawoong; Chen, Peng Physical Review B, Vol. 95, Issue 20 https://doi.org/10.1103/PhysRevB.95.201409	journal	May 2017
Excitonic effects in two-dimensional TiSe 2 from hybrid density functional theory Pasquier, Diego; Yazyev, Oleg V. Physical Review B, Vol. 98, Issue 23 https://doi.org/10.1103/PhysRevB.98.235106	journal	December 2018
On the origin of the anomalous peak in the resistivity of TiSe 2 Watson, Matthew D.; Beales, Adam M.; King, Philip D. C. Physical Review B, Vol. 99, Issue 19 https://doi.org/10.1103/PhysRevB.99.195142	journal	May 2019
Local trigonal modes and the suppression of the charge density wave in TiSe 2 − x Te x Wegner, A.; Louca, D.; Yang, J. Physical Review B, Vol. 99, Issue 20 https://doi.org/10.1103/PhysRevB.99.205110	journal	May 2019
Chiral Charge-Density Waves Ishioka, J.; Liu, Y. H.; Shimatake, K. Physical Review Letters, Vol. 105, Issue 17 https://doi.org/10.1103/PhysRevLett.105.176401	journal	October 2010
Charge-Density Wave and Superconducting Dome in TiSe 2 from Electron-Phonon Interaction Calandra, Matteo; Mauri, Francesco Physical Review Letters, Vol. 106, Issue 19 https://doi.org/10.1103/PhysRevLett.106.196406	journal	May 2011
Nonthermal Melting of a Charge Density Wave in TiSe 2 Möhr-Vorobeva, E.; Johnson, S. L.; Beaud, P. Physical Review Letters, Vol. 107, Issue 3 https://doi.org/10.1103/PhysRevLett.107.036403	journal	July 2011
Charge-Density-Wave Phase of 1 T − TiSe 2 : The Influence of Conduction Band Population May, Matthias M.; Brabetz, Christine; Janowitz, Christoph Physical Review Letters, Vol. 107, Issue 17 https://doi.org/10.1103/PhysRevLett.107.176405	journal	October 2011
Electron-Phonon Coupling and the Soft Phonon Mode in TiSe 2 Weber, F.; Rosenkranz, S.; Castellan, J. -P. Physical Review Letters, Vol. 107, Issue 26 https://doi.org/10.1103/PhysRevLett.107.266401	journal	December 2011
Chiral Phase Transition in Charge Ordered 1 T − TiSe 2 Castellan, John-Paul; Rosenkranz, Stephan; Osborn, Ray Physical Review Letters, Vol. 110, Issue 19 https://doi.org/10.1103/PhysRevLett.110.196404	journal	May 2013
Coexistence of Charge-Density-Wave and Pair-Density-Wave Orders in Underdoped Cuprates Wang, Yuxuan; Agterberg, Daniel F.; Chubukov, Andrey Physical Review Letters, Vol. 114, Issue 19 https://doi.org/10.1103/PhysRevLett.114.197001	journal	May 2015
Critical Role of the Exchange Interaction for the Electronic Structure and Charge-Density-Wave Formation in TiSe 2 Hellgren, Maria; Baima, Jacopo; Bianco, Raffaello Physical Review Letters, Vol. 119, Issue 17 https://doi.org/10.1103/PhysRevLett.119.176401	journal	October 2017
Unique Gap Structure and Symmetry of the Charge Density Wave in Single-Layer VSe 2 Chen, P.; Pai, Woei Wu; Chan, Y. -H. Physical Review Letters, Vol. 121, Issue 19 https://doi.org/10.1103/PhysRevLett.121.196402	journal	November 2018
Orbital- and k z -Selective Hybridization of Se 4 p and Ti 3 d States in the Charge Density Wave Phase of TiSe 2 Watson, Matthew D.; Clark, Oliver J.; Mazzola, Federico Physical Review Letters, Vol. 122, Issue 7 https://doi.org/10.1103/PhysRevLett.122.076404	journal	February 2019
Comment on “Chiral Phase Transition in Charge Ordered 1 T - TiSe 2 ” Lin, Meng-Kai; Hlevyack, Joseph A.; Chen, Peng Physical Review Letters, Vol. 122, Issue 22 https://doi.org/10.1103/PhysRevLett.122.229701	journal	June 2019
Charge Density Wave Order and Fluctuations above TCDW and below Superconducting Tc in the Kagome Metal CsV3Sb5 Chen, Q.; Chen, D.; Schnelle, W. Physical Review Letters, Vol. 129, Issue 5 https://doi.org/10.1103/PhysRevLett.129.056401	journal	July 2022
Three-Dimensional and Relativistic Effects in Layered 1 T -Ti Se 2 Anderson, O.; Manzke, R.; Skibowski, M. Physical Review Letters, Vol. 55, Issue 20 https://doi.org/10.1103/PhysRevLett.55.2188	journal	November 1985
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
Electron-Hole Coupling and the Charge Density Wave Transition in TiSe 2 Kidd, T. E.; Miller, T.; Chou, M. Y. Physical Review Letters, Vol. 88, Issue 22 https://doi.org/10.1103/PhysRevLett.88.226402	journal	May 2002
Quantum Melting of the Charge-Density-Wave State in 1 T − T i S e 2 Snow, C. S.; Karpus, J. F.; Cooper, S. L. Physical Review Letters, Vol. 91, Issue 13 https://doi.org/10.1103/PhysRevLett.91.136402	journal	September 2003
Emergence of Fermi Pockets in a New Excitonic Charge-Density-Wave Melted Superconductor Qian, D.; Hsieh, D.; Wray, L. Physical Review Letters, Vol. 98, Issue 11 https://doi.org/10.1103/PhysRevLett.98.117007	journal	March 2007
Semimetal-to-Semimetal Charge Density Wave Transition in 1 T − TiSe 2 Li, G.; Hu, W. Z.; Qian, D. Physical Review Letters, Vol. 99, Issue 2 https://doi.org/10.1103/PhysRevLett.99.027404	journal	July 2007
Effect of synthesis conditions on the electrical resistivity of TiSe 2 Moya, Jaime M.; Huang, C. -L.; Choe, Jesse Physical Review Materials, Vol. 3, Issue 8 https://doi.org/10.1103/PhysRevMaterials.3.084005	journal	August 2019
Correlation between electronic and structural orders in 1 T − Ti Se 2 Ueda, Hiroki; Porer, Michael; Mardegan, José R. L. Physical Review Research, Vol. 3, Issue 2 https://doi.org/10.1103/PhysRevResearch.3.L022003	journal	April 2021
Observation of orbital order in the van der Waals material 1T−TiSe2 Peng, Yingying; Guo, Xuefei; Xiao, Qian Physical Review Research, Vol. 4, Issue 3 https://doi.org/10.1103/PhysRevResearch.4.033053	journal	July 2022
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
RAD, a program for analysis of X-ray diffraction data from amorphous materials for personal computers Petkov, V. Journal of Applied Crystallography, Vol. 22, Issue 4, p. 387-389 https://doi.org/10.1107/S0021889889002104	journal	August 1989
Symmetry-mode analysis for local structure investigations using pair distribution function data Hamilton, Parker K.; Moya, Jaime M.; Hallas, Alannah M. Journal of Applied Crystallography, Vol. 56, Issue 4 https://doi.org/10.1107/S1600576723005794	journal	July 2023
Mechanisms of electron-phonon coupling unraveled in momentum and time: The case of soft phonons in TiSe ₂ Otto, Martin R.; Pöhls, Jan-Hendrik; René de Cotret, Laurent P. Science Advances, Vol. 7, Issue 20 https://doi.org/10.1126/sciadv.abf2810	journal	May 2021
Signatures of exciton condensation in a transition metal dichalcogenide Kogar, Anshul; Rak, Melinda S.; Vig, Sean Science, Vol. 358, Issue 6368 https://doi.org/10.1126/science.aam6432	journal	December 2017
Dynamical charge density fluctuations pervading the phase diagram of a Cu-based high- T c superconductor Arpaia, R.; Caprara, S.; Fumagalli, R. Science, Vol. 365, Issue 6456 https://doi.org/10.1126/science.aav1315	journal	August 2019

Journal Article · Sun Jun 23 20:00:00 EDT 2024 · Journal of Physics. Condensed Matter · OSTI ID:2382774

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Two-step charge density wave transition and hidden transient phase in 1T– TiSe2

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