Local trigonal modes and the suppression of the charge density wave in TiSe2-xTex

Wegner, A.; Louca, D.; Yang, J.

doi:10.1103/physrevb.99.205110

Title: Local trigonal modes and the suppression of the charge density wave in ${TiSe}_{2 - x} {Te}_{x}$

Abstract

The composition dependence of the charge density wave (CDW) state is investigated in a solid solution of 1T-TiSe_2–xTe₂ using neutron scattering and a pair density function analysis. It is observed that the CDW order is quickly suppressed with doping, between 0.2≤x≤0.25. The suppression of the CDW is coupled with a change in the local symmetry from hexagonal to monoclinic. In the monoclinic, high-temperature phase, a Jahn-Teller (JT) distortion is observed between Ti and Se bonds that is suppressed with Te doping. Furthermore, these observations favor a CDW that is driven by a cooperative JT effect, as Ti-Se bond shortening is crucial to CDW formation and excess chalcogen to Ti charge transfer inhibits the JT mechanism.

Authors:

Wegner, A. ^[1]; Louca, D. ^[1]; Yang, J. ^[2]

Univ. of Virginia, Charlottesville, VA (United States)
Central Michigan Univ., Mount Pleasant, MI (United States)

Publication Date:: Thu May 09 00:00:00 EDT 2019

Research Org.:: Univ. of Virginia, Charlottesville, VA (United States)

Sponsoring Org.:: USDOE Office of Science (SC)

OSTI Identifier:: 1609368

Alternate Identifier(s):: OSTI ID: 1511772

Grant/Contract Number:: FG02-01ER45927

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 99; Journal Issue: 20; 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; charge density waves; Jahn-Teller effect; phase diagrams; phase transitions; transition-metal dichalcogenide; crystallography; neutron diffraction; neutron pair-distribution function analysis

Citation Formats


                    Wegner, A., Louca, D., and Yang, J. Local trigonal modes and the suppression of the charge density wave in TiSe2-xTex.  United States: N. p., 2019. 
Web.  doi:10.1103/physrevb.99.205110.

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                    Wegner, A., Louca, D., & Yang, J. Local trigonal modes and the suppression of the charge density wave in TiSe2-xTex.  United States.  https://doi.org/10.1103/physrevb.99.205110

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                    Wegner, A., Louca, D., and Yang, J. Thu .  
"Local trigonal modes and the suppression of the charge density wave in TiSe2-xTex".  United States.  https://doi.org/10.1103/physrevb.99.205110.  https://www.osti.gov/servlets/purl/1609368.

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@article{osti_1609368,

  title        = {Local trigonal modes and the suppression of the charge density wave in TiSe2-xTex},

  author       = {Wegner, A. and Louca, D. and Yang, J.},

  abstractNote = {The composition dependence of the charge density wave (CDW) state is investigated in a solid solution of 1T-TiSe2–xTe2 using neutron scattering and a pair density function analysis. It is observed that the CDW order is quickly suppressed with doping, between 0.2≤x≤0.25. The suppression of the CDW is coupled with a change in the local symmetry from hexagonal to monoclinic. In the monoclinic, high-temperature phase, a Jahn-Teller (JT) distortion is observed between Ti and Se bonds that is suppressed with Te doping. Furthermore, these observations favor a CDW that is driven by a cooperative JT effect, as Ti-Se bond shortening is crucial to CDW formation and excess chalcogen to Ti charge transfer inhibits the JT mechanism.},

  doi          = {10.1103/physrevb.99.205110},

  journal      = {Physical Review B},

  number       = 20,

  volume       = 99,

  place        = {United States},

  year         = {Thu May 09 00:00:00 EDT 2019},

  month        = {Thu May 09 00:00:00 EDT 2019}

}

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Works referenced in this record:

Pressure Induced Superconductivity in Pristine $1 T − {TiSe}_{2}$
journal, November 2009

Kusmartseva, A. F.; Sipos, B.; Berger, H.
Physical Review Letters, Vol. 103, Issue 23
DOI: 10.1103/PhysRevLett.103.236401

Bulk and surface electronic structure of $1 T - {TiS}_{2}$ and $1 T - {TiSe}_{2}$
journal, August 1997

Fang, C. M.; de Groot, R. A.; Haas, C.
Physical Review B, Vol. 56, Issue 8
DOI: 10.1103/PhysRevB.56.4455

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
DOI: 10.1021/acsnano.5b06727

Variations in the Conductive and Superconductive Properties of {[TiSe ₂ ] _l [NbSe ₂ ] _m } _n Superlattices as a Function of Superlattice Structure
journal, October 2000

Noh, Myungkeun; Johnson, David C.; Elliott, Greg S.
Chemistry of Materials, Vol. 12, Issue 10
DOI: 10.1021/cm000159a

PDFgetN : a user-friendly program to extract the total scattering structure factor and the pair distribution function from neutron powder diffraction data
journal, August 2000

Peterson, P. F.; Gutmann, M.; Proffen, Th.
Journal of Applied Crystallography, Vol. 33, Issue 4
DOI: 10.1107/S0021889800007123

Charge-Density Wave and Superconducting Dome in ${TiSe}_{2}$ from Electron-Phonon Interaction
journal, May 2011

Calandra, Matteo; Mauri, Francesco
Physical Review Letters, Vol. 106, Issue 19
DOI: 10.1103/PhysRevLett.106.196406

Collapse of long-range charge order tracked by time-resolved photoemission at high momenta
journal, March 2011

Rohwer, Timm; Hellmann, Stefan; Wiesenmayer, Martin
Nature, Vol. 471, Issue 7339
DOI: 10.1038/nature09829

Preparation and optical properties of group IV–VI2 chalcogenides having the CdI2 structure
journal, September 1965

Greenaway, D. L.; Nitsche, R.
Journal of Physics and Chemistry of Solids, Vol. 26, Issue 9
DOI: 10.1016/0022-3697(65)90043-0

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

Rechargeable magnesium-ion battery based on a TiSe2-cathode with d-p orbital hybridized electronic structure
journal, July 2015

Gu, Yunpeng; Katsura, Yukari; Yoshino, Takafumi
Scientific Reports, Vol. 5, Issue 1
DOI: 10.1038/srep12486

Semimetal-to-Semimetal Charge Density Wave Transition in $1 T − {TiSe}_{2}$
journal, July 2007

Li, G.; Hu, W. Z.; Qian, D.
Physical Review Letters, Vol. 99, Issue 2
DOI: 10.1103/PhysRevLett.99.027404

Electron-Hole Coupling and the Charge Density Wave Transition in ${TiSe}_{2}$
journal, May 2002

Kidd, T. E.; Miller, T.; Chou, M. Y.
Physical Review Letters, Vol. 88, Issue 22
DOI: 10.1103/PhysRevLett.88.226402

Etude comparative des composés TiX2 (X = S, Se, Te). Structures de TiTe2 et TiSeTe
journal, September 1981

Arnaud, Y.; Chevreton, M.
Journal of Solid State Chemistry, Vol. 39, Issue 2
DOI: 10.1016/0022-4596(81)90336-4

Successive phase transitions driven by orbital ordering and electron transfer in quasi-two-dimensional ${CrSe}_{2}$ with a triangular lattice
journal, February 2014

Kobayashi, Shintaro; Ueda, Hiroaki; Nishio-Hamane, Daisuke
Physical Review B, Vol. 89, Issue 5
DOI: 10.1103/PhysRevB.89.054413

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
DOI: 10.1021/ja00050a044

Evidence for an Excitonic Insulator Phase in $1 T − {TiSe}_{2}$
journal, October 2007

Cercellier, H.; Monney, C.; Clerc, F.
Physical Review Letters, Vol. 99, Issue 14
DOI: 10.1103/PhysRevLett.99.146403

Electronic properties and superlattice formation in the semimetal ${TiSe}_{2}$
journal, November 1976

Di Salvo, F. J.; Moncton, D. E.; Waszczak, J. V.
Physical Review B, Vol. 14, Issue 10
DOI: 10.1103/PhysRevB.14.4321

Prediction of Weyl semimetal in orthorhombic ${MoTe}_{2}$
journal, October 2015

Sun, Yan; Wu, Shu-Chun; Ali, Mazhar N.
Physical Review B, Vol. 92, Issue 16
DOI: 10.1103/PhysRevB.92.161107

Spontaneous exciton condensation in $1 T {-TiSe}_{2}$ : BCS-like approach
journal, January 2009

Monney, C.; Cercellier, H.; Clerc, F.
Physical Review B, Vol. 79, Issue 4
DOI: 10.1103/PhysRevB.79.045116

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
DOI: 10.1088/0022-3719/10/11/009

1T-TaS ₂ as a quantum spin liquid
journal, June 2017

Law, K. T.; Lee, Patrick A.
Proceedings of the National Academy of Sciences, Vol. 114, Issue 27
DOI: 10.1073/pnas.1706769114

Superconductivity in CuxTiSe2
journal, July 2006

Morosan, E.; Zandbergen, H. W.; Dennis, B. S.
Nature Physics, Vol. 2, Issue 8
DOI: 10.1038/nphys360

Titanium ditelluride: Band structure, photoemission, and electrical and magnetic properties
journal, June 1984

de Boer, D. K. G.; van Bruggen, C. F.; Bus, G. W.
Physical Review B, Vol. 29, Issue 12
DOI: 10.1103/PhysRevB.29.6797

Importance of short interlayer Te···Te contacts for the structural distortions and physical properties of CdI2-type layered transition-metal ditellurides
journal, July 1992

Canadell, Enric; Jobic, Ste´phane; Brec, Raymond
Journal of Solid State Chemistry, Vol. 99, Issue 1
DOI: 10.1016/0022-4596(92)90304-E

Multiple electronic transitions and superconductivity in ${Pd}_{x} {TiSe}_{2}$
journal, March 2010

Morosan, E.; Wagner, K. E.; Zhao, Liang L.
Physical Review B, Vol. 81, Issue 9
DOI: 10.1103/PhysRevB.81.094524

Charge Density Waves in Exfoliated Films of van der Waals Materials: Evolution of Raman Spectrum in TiSe ₂
journal, October 2012

Goli, Pradyumna; Khan, Javed; Wickramaratne, Darshana
Nano Letters, Vol. 12, Issue 11
DOI: 10.1021/nl303365x

Differences in Chemical Doping Matter: Superconductivity in Ti _{1– x} Ta _x Se ₂ but Not in Ti _{1– x} Nb _x Se ₂
journal, February 2016

Luo, Huixia; Xie, Weiwei; Tao, Jing
Chemistry of Materials, Vol. 28, Issue 6
DOI: 10.1021/acs.chemmater.6b00288

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
DOI: 10.1038/nmat4042

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Title: Local trigonal modes and the suppression of the charge density wave in TiSe 2 - x Te x

Abstract

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