Evidence for pseudo–Jahn-Teller distortions in the charge density wave phase of 1$$\textit{T}-\text{TiSe}_2$$
Abstract
Here, the charge density wave (CDW) instability in 1$$\textit{T}-\text{TiSe}_2$$ is revisited to investigate its electronic and structural origins using angle resolved photoemission spectroscopy (ARPES), neutron diffraction, and density functional theory (DFT) calculations. The evidence for Jahn-Teller (JT)-like distortions in the CDW state is provided from the local structure analysis that shows splitting of the Ti-Se bonds into short and long. The magnitude of the split is inconsistent with the commonly accepted Di Salvo model for the structural distortions in the CDW phase. From the APRES data, it is deduced that a nontrivial temperature-dependent energy shift of the Se $$4\textit{p}$$ valence bands occurs, but is absent for the Ti $$3\textit{d}$$ conduction bands. Collectively, these observations suggest that a JT-like mechanism is most likely central to the CDW instability in 1$$\textit{T}-\text{TiSe}_2$$.
- Authors:
-
[1]
- Univ. of Virginia, Charlottesville, VA (United States)
- Central Michigan Univ., Mount Pleasant, MI (United States)
- Drexel Univ., Philadelphia, PA (United States)
- Publication Date:
- Research Org.:
- Univ. of Virginia, Charlottesville, VA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC); National Science Foundation (NSF); National Institute of Standards and Technology (NIST)
- OSTI Identifier:
- 1800033
- Grant/Contract Number:
- FG02-01ER45927; DMR-1629237; ECCS-1711015
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review B
- Additional Journal Information:
- Journal Volume: 101; Journal Issue: 19; Journal ID: ISSN 2469-9950
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; Materials Science; Physics
Citation Formats
Wegner, A., Zhao, J., Li, J., Yang, J., Anikin, A. A., Karapetrov, G., Esfarjani, K., Louca, D., and Chatterjee, U. Evidence for pseudo–Jahn-Teller distortions in the charge density wave phase of 1$\textit{T}-\text{TiSe}_2$. United States: N. p., 2020.
Web. doi:10.1103/physrevb.101.195145.
Wegner, A., Zhao, J., Li, J., Yang, J., Anikin, A. A., Karapetrov, G., Esfarjani, K., Louca, D., & Chatterjee, U. Evidence for pseudo–Jahn-Teller distortions in the charge density wave phase of 1$\textit{T}-\text{TiSe}_2$. United States. https://doi.org/10.1103/physrevb.101.195145
Wegner, A., Zhao, J., Li, J., Yang, J., Anikin, A. A., Karapetrov, G., Esfarjani, K., Louca, D., and Chatterjee, U. Wed .
"Evidence for pseudo–Jahn-Teller distortions in the charge density wave phase of 1$\textit{T}-\text{TiSe}_2$". United States. https://doi.org/10.1103/physrevb.101.195145. https://www.osti.gov/servlets/purl/1800033.
@article{osti_1800033,
title = {Evidence for pseudo–Jahn-Teller distortions in the charge density wave phase of 1$\textit{T}-\text{TiSe}_2$},
author = {Wegner, A. and Zhao, J. and Li, J. and Yang, J. and Anikin, A. A. and Karapetrov, G. and Esfarjani, K. and Louca, D. and Chatterjee, U.},
abstractNote = {Here, the charge density wave (CDW) instability in 1$\textit{T}-\text{TiSe}_2$ is revisited to investigate its electronic and structural origins using angle resolved photoemission spectroscopy (ARPES), neutron diffraction, and density functional theory (DFT) calculations. The evidence for Jahn-Teller (JT)-like distortions in the CDW state is provided from the local structure analysis that shows splitting of the Ti-Se bonds into short and long. The magnitude of the split is inconsistent with the commonly accepted Di Salvo model for the structural distortions in the CDW phase. From the APRES data, it is deduced that a nontrivial temperature-dependent energy shift of the Se $4\textit{p}$ valence bands occurs, but is absent for the Ti $3\textit{d}$ conduction bands. Collectively, these observations suggest that a JT-like mechanism is most likely central to the CDW instability in 1$\textit{T}-\text{TiSe}_2$.},
doi = {10.1103/physrevb.101.195145},
journal = {Physical Review B},
number = 19,
volume = 101,
place = {United States},
year = {Wed May 27 00:00:00 EDT 2020},
month = {Wed May 27 00:00:00 EDT 2020}
}
Free Publicly Available Full Text
Publisher's Version of Record
Other availability
Search WorldCat to find libraries that may hold this journal
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.
Works referenced in this record:
Pressure Induced Superconductivity in Pristine
journal, November 2009
- Kusmartseva, A. F.; Sipos, B.; Berger, H.
- Physical Review Letters, Vol. 103, Issue 23
Unconventional Charge-Density-Wave Transition in Monolayer 1 T -TiSe 2
journal, December 2015
- Sugawara, Katsuaki; Nakata, Yuki; Shimizu, Ryota
- ACS Nano, Vol. 10, Issue 1
Charge-Density Wave and Superconducting Dome in from Electron-Phonon Interaction
journal, May 2011
- Calandra, Matteo; Mauri, Francesco
- Physical Review Letters, Vol. 106, Issue 19
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
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Possible highT c superconductivity in the Ba?La?Cu?O system
journal, June 1986
- Bednorz, J. G.; M�ller, K. A.
- Zeitschrift f�r Physik B Condensed Matter, Vol. 64, Issue 2
Open questions in CMR manganites, relevance of clustered states and analogies with other compounds including the cuprates
journal, January 2005
- Dagotto, Elbio
- New Journal of Physics, Vol. 7
Orbital selectivity causing anisotropy and particle-hole asymmetry in the charge density wave gap of
journal, September 2017
- Zhao, J.; Wijayaratne, K.; Butler, A.
- Physical Review B, Vol. 96, Issue 12
Emergence of Fermi Pockets in a New Excitonic Charge-Density-Wave Melted Superconductor
journal, March 2007
- Qian, D.; Hsieh, D.; Wray, L.
- Physical Review Letters, Vol. 98, Issue 11
Chiral Phase Transition in Charge Ordered
journal, May 2013
- Castellan, John-Paul; Rosenkranz, Stephan; Osborn, Ray
- Physical Review Letters, Vol. 110, Issue 19
The transition metal dichalcogenides discussion and interpretation of the observed optical, electrical and structural properties
journal, May 1969
- Wilson, J. A.; Yoffe, A. D.
- Advances in Physics, Vol. 18, Issue 73
The dynamics of charge-density waves
journal, October 1988
- Grüner, G.
- Reviews of Modern Physics, Vol. 60, Issue 4
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Local resilience of the charge density wave to Ti self-doping
journal, February 2017
- Hildebrand, B.; Jaouen, T.; Didiot, C.
- Physical Review B, Vol. 95, Issue 8
Emergence of coherence in the charge-density wave state of 2H-NbSe2
journal, February 2015
- Chatterjee, U.; Zhao, J.; Iavarone, M.
- Nature Communications, Vol. 6, Issue 1
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
journal, November 1992
- Whangbo, Myung Hwan; Canadell, Enric
- Journal of the American Chemical Society, Vol. 114, Issue 24
Evidence for an Excitonic Insulator Phase in
journal, October 2007
- Cercellier, H.; Monney, C.; Clerc, F.
- Physical Review Letters, Vol. 99, Issue 14
Charge-density wave induced by combined electron-electron and electron-phonon interactions in : A variational Monte Carlo study
journal, May 2015
- Watanabe, Hiroshi; Seki, Kazuhiro; Yunoki, Seiji
- Physical Review B, Vol. 91, Issue 20
Evolution of the Electronic Structure of
journal, October 2007
- Zhao, J. F.; Ou, H. W.; Wu, G.
- Physical Review Letters, Vol. 99, Issue 14
Core-level photoemission measurements of the chemical potential shift as a probe of correlated electron systems
journal, July 2002
- Fujimori, A.; Ino, A.; Matsuno, J.
- Journal of Electron Spectroscopy and Related Phenomena, Vol. 124, Issue 2-3
Charge-density-wave phase transition in Excitonic insulator versus band-type Jahn-Teller mechanism
journal, May 2002
- Rossnagel, K.; Kipp, L.; Skibowski, M.
- Physical Review B, Vol. 65, Issue 23
Electronic properties and superlattice formation in the semimetal
journal, November 1976
- Di Salvo, F. J.; Moncton, D. E.; Waszczak, J. V.
- Physical Review B, Vol. 14, Issue 10
Chiral Charge-Density Waves
journal, October 2010
- Ishioka, J.; Liu, Y. H.; Shimatake, K.
- Physical Review Letters, Vol. 105, Issue 17
Local Real-Space View of the Achiral Charge Density Wave
journal, March 2018
- Hildebrand, B.; Jaouen, T.; Mottas, M. -L.
- Physical Review Letters, Vol. 120, Issue 13
Chemical potential shift and gap-state formation in SrTiO 3− δ revealed by photoemission spectroscopy
journal, August 2014
- Pal, Prabir; Kumar, Pramod; V., Aswin
- Journal of Applied Physics, Vol. 116, Issue 5
Spontaneous exciton condensation in : BCS-like approach
journal, January 2009
- Monney, C.; Cercellier, H.; Clerc, F.
- Physical Review B, Vol. 79, Issue 4
Controlling many-body states by the electric-field effect in a two-dimensional material
journal, December 2015
- Li, L. J.; O’Farrell, E. C. T.; Loh, K. P.
- Nature, Vol. 529, Issue 7585
An alternative interpretation of recent ARPES measurements on TiSe 2
journal, February 2010
- van Wezel, J.; Nahai-Williamson, P.; Saxena, S. S.
- EPL (Europhysics Letters), Vol. 89, Issue 4
Neutron scattering lengths and cross sections
journal, January 1992
- Sears, Varley F.
- Neutron News, Vol. 3, Issue 3
Missing Quasiparticles and the Chemical Potential Puzzle in the Doping Evolution of the Cuprate Superconductors
journal, December 2004
- Shen, K. M.; Ronning, F.; Lu, D. H.
- Physical Review Letters, Vol. 93, Issue 26
Structural distortion in TiSe 2 and related materials-a possible Jahn-Teller effect?
journal, June 1977
- Hughes, H. P.
- Journal of Physics C: Solid State Physics, Vol. 10, Issue 11
Chemical potential shift in La 1 − x Sr x MnO 3 : Photoemission test of the phase separation scenario
journal, July 2002
- Matsuno, J.; Fujimori, A.; Takeda, Y.
- Europhysics Letters (EPL), Vol. 59, Issue 2
Superconductivity in iron compounds
journal, December 2011
- Stewart, G. R.
- Reviews of Modern Physics, Vol. 83, Issue 4
Superconductivity in CuxTiSe2
journal, July 2006
- Morosan, E.; Zandbergen, H. W.; Dennis, B. S.
- Nature Physics, Vol. 2, Issue 8
X-Ray Studies of Phonon Softening in
journal, April 2001
- Holt, M.; Zschack, P.; Hong, Hawoong
- Physical Review Letters, Vol. 86, Issue 17
Electron-Phonon Coupling and the Soft Phonon Mode in
journal, December 2011
- Weber, F.; Rosenkranz, S.; Castellan, J. -P.
- Physical Review Letters, Vol. 107, Issue 26
Spectroscopic evidence for temperature-dependent convergence of light- and heavy-hole valence bands of PbQ (Q = Te, Se, S)
journal, January 2017
- Zhao, J.; Malliakas, C. D.; Wijayaratne, K.
- EPL (Europhysics Letters), Vol. 117, Issue 2
Chemical potential shift and spectral-weight transfer in revealed by photoemission spectroscopy
journal, August 2006
- Ebata, K.; Wadati, H.; Takizawa, M.
- Physical Review B, Vol. 74, Issue 6
Versatile van der Waals Density Functional Based on a Meta-Generalized Gradient Approximation
journal, October 2016
- Peng, Haowei; Yang, Zeng-Hui; Perdew, John P.
- Physical Review X, Vol. 6, Issue 4
Signatures of exciton condensation in a transition metal dichalcogenide
journal, December 2017
- Kogar, Anshul; Rak, Melinda S.; Vig, Sean
- Science, Vol. 358, Issue 6368
On the origin of charge-density waves in select layered transition-metal dichalcogenides
journal, May 2011
- Rossnagel, K.
- Journal of Physics: Condensed Matter, Vol. 23, Issue 21
Non-thermal separation of electronic and structural orders in a persisting charge density wave
journal, July 2014
- Porer, M.; Leierseder, U.; Ménard, J. -M.
- Nature Materials, Vol. 13, Issue 9