Superconductivity and hybrid soft modes in TiSe2

Maschek, M.; Rosenkranz, S.; Hott, R.; Heid, R.; Merz, Michael; Zocco, D. A.; Said, A. H.; Alatas, A.; Karapetrov, G.; Zhu, Shan; van Wezel, Jasper; Weber, Frank

doi:10.1103/PhysRevB.94.214507

Title: Superconductivity and hybrid soft modes in $Ti {Se}_{2}$

Abstract

The interplay between superconductivity and charge-density-wave (CDW) order plays a central role in the layered transition-metal dichalcogenides. 1T-TiSe₂ forms a prime example, featuring superconducting domes on intercalation as well as under applied pressure. Here, we present high energy-resolution inelastic x-ray scattering measurements of the CDW soft phonon mode in intercalated Cu_xTiSe₂ and pressurized 1T-TiSe₂ along with detailed ab-initio calculations for the lattice dynamical properties and phonon-mediated superconductivity. We find that the intercalation-induced superconductivity can be explained by a solely phonon-mediated pairing mechanism, while this is not possible for the superconducting phase under pressure. We argue that a hybridization of phonon and exciton modes in the pairing mechanism is necessary to explain the full observed temperature-pressure-intercalation phase diagram. Finally, these results indicate that 1T-TiSe₂ under pressure is close to the elusive state of the excitonic insulator.

Authors:

Maschek, M. ^[1]; Rosenkranz, S. ^[2]; Hott, R. ^[1]; Heid, R. ^[1]; Merz, Michael ^[1]; Zocco, D. A. ^[1]; Said, A. H. ^[2]; Alatas, A. ^[2]; Karapetrov, G. ^[3]; Zhu, Shan ^[4]; van Wezel, Jasper ^[4]; Weber, Frank ^[1]

Karlsruhe Institute of Technology, Karlsruhe (Germany)
Argonne National Lab. (ANL), Argonne, IL (United States)
Drexel Univ., Philadelphia, PA (United States)
Univ. of Amsterdam, Amsterdam (The Netherlands)

Publication Date:: Mon Dec 12 00:00:00 EST 2016

Research Org.:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Org.:: Materials Sciences and Engineering Division; USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities Division

OSTI Identifier:: 1352569

Alternate Identifier(s):: OSTI ID: 1335193

Grant/Contract Number:: AC02-06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 94; Journal Issue: 21; 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

Citation Formats


                    Maschek, M., Rosenkranz, S., Hott, R., Heid, R., Merz, Michael, Zocco, D. A., Said, A. H., Alatas, A., Karapetrov, G., Zhu, Shan, van Wezel, Jasper, and Weber, Frank. Superconductivity and hybrid soft modes in TiSe2.  United States: N. p., 2016. 
Web.  doi:10.1103/PhysRevB.94.214507.

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                    Maschek, M., Rosenkranz, S., Hott, R., Heid, R., Merz, Michael, Zocco, D. A., Said, A. H., Alatas, A., Karapetrov, G., Zhu, Shan, van Wezel, Jasper, & Weber, Frank. Superconductivity and hybrid soft modes in TiSe2.  United States.  https://doi.org/10.1103/PhysRevB.94.214507

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                    Maschek, M., Rosenkranz, S., Hott, R., Heid, R., Merz, Michael, Zocco, D. A., Said, A. H., Alatas, A., Karapetrov, G., Zhu, Shan, van Wezel, Jasper, and Weber, Frank. Mon .  
"Superconductivity and hybrid soft modes in TiSe2".  United States.  https://doi.org/10.1103/PhysRevB.94.214507.  https://www.osti.gov/servlets/purl/1352569.

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@article{osti_1352569,

  title        = {Superconductivity and hybrid soft modes in TiSe2},

  author       = {Maschek, M. and Rosenkranz, S. and Hott, R. and Heid, R. and Merz, Michael and Zocco, D. A. and Said, A. H. and Alatas, A. and Karapetrov, G. and Zhu, Shan and van Wezel, Jasper and Weber, Frank},

  abstractNote = {The interplay between superconductivity and charge-density-wave (CDW) order plays a central role in the layered transition-metal dichalcogenides. 1T-TiSe2 forms a prime example, featuring superconducting domes on intercalation as well as under applied pressure. Here, we present high energy-resolution inelastic x-ray scattering measurements of the CDW soft phonon mode in intercalated CuxTiSe2 and pressurized 1T-TiSe2 along with detailed ab-initio calculations for the lattice dynamical properties and phonon-mediated superconductivity. We find that the intercalation-induced superconductivity can be explained by a solely phonon-mediated pairing mechanism, while this is not possible for the superconducting phase under pressure. We argue that a hybridization of phonon and exciton modes in the pairing mechanism is necessary to explain the full observed temperature-pressure-intercalation phase diagram. Finally, these results indicate that 1T-TiSe2 under pressure is close to the elusive state of the excitonic insulator.},

  doi          = {10.1103/PhysRevB.94.214507},

  journal      = {Physical Review B},

  number       = 21,

  volume       = 94,

  place        = {United States},

  year         = {Mon Dec 12 00:00:00 EST 2016},

  month        = {Mon Dec 12 00:00:00 EST 2016}

}

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Impact ionization dynamics in small band-gap two-dimensional materials from a coherent phonon mechanism
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Title: Superconductivity and hybrid soft modes in Ti Se 2

Abstract

Citation Formats

Pressure-Induced Superconducting Phase in the Charge-Density-Wave Compound Terbium Tritelluride journal, April 2009

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

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

Lattice Dynamics and Electron-Phonon Interaction in (3,3) Carbon Nanotubes journal, December 2004

Is LaFeAsO 1 − x F x an Electron-Phonon Superconductor? journal, July 2008

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Model for an Exciton Mechanism of Superconductivity journal, February 1973

Phonons in doped and undoped BaFe 2 As 2 investigated by inelastic x-ray scattering journal, December 2009

Emergence of charge density wave domain walls above the superconducting dome in 1T-TiSe2 journal, April 2014

Ab initio computation of the transition temperature of the charge density wave transition in TiS e 2 journal, December 2015

Pressure dependence of the charge-density-wave and superconducting states in GdTe 3 , TbTe 3 , and DyTe 3 journal, May 2015

Optical phonons and the soft mode in 2 H -NbSe 2 journal, June 2013

Neutron Scattering with a Triple-Axis Spectrometer book, January 2009

Charge-density-wave phase transition in 1 T − TiSe 2 : Excitonic insulator versus band-type Jahn-Teller mechanism journal, May 2002

Exciton Condensation Driving the Periodic Lattice Distortion of 1 T − TiSe 2 journal, March 2011

Electronic properties and superlattice formation in the semimetal TiSe 2 journal, November 1976

Lattice dynamical properties of superconducting SrPt 3 P studied via inelastic x-ray scattering and density functional perturbation theory journal, December 2015

Exciton instability and crystallographic anomalies in semiconductors journal, February 1965

From Mott state to superconductivity in 1T-TaS2 journal, November 2008

Point-contact tunneling spectroscopy measurement of Cu x TiSe 2 : Disorder-enhanced Coulomb effects journal, March 2015

Probing the exciton condensate phase in 1 T -TiSe 2 with photoemission journal, December 2010

Electron-Phonon Coupling and the Soft Phonon Mode in TiSe 2 journal, December 2011

Pressure Induced Superconductivity in Pristine 1 T − TiSe 2 journal, November 2009

Phonon dispersion and electron-phonon interaction for YBa 2 Cu 3 O 7 from first-principles calculations journal, October 2003

Exciton-phonon interactions and superconductivity bordering charge order in TiSe 2 journal, January 2011

Excitonic Insulator journal, June 1967

Phonons and related crystal properties from density-functional perturbation theory journal, July 2001

Phonons and electron-phonon coupling in YNi 2 B 2 C journal, March 2014

Mapping of Electron-Hole Excitations in the Charge-Density-Wave System 1 T − TiSe 2 Using Resonant Inelastic X-Ray Scattering journal, July 2012

Strong anharmonicity induces quantum melting of charge density wave in 2 H − NbSe 2 under pressure journal, October 2015

Superconducting energy gap of 2 H − NbS e 2 in phonon spectroscopy journal, October 2016

Emergence of Fermi Pockets in a New Excitonic Charge-Density-Wave Melted Superconductor journal, March 2007

Band structure and lattice instability of Ti Se 2 journal, February 1978

Growth of faceted niobium diselenide journal, March 1994

Possibility of Synthesizing an Organic Superconductor journal, June 1964

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

Evolution of the Electronic Structure of 1 T − Cu x TiSe 2 journal, October 2007

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Effects of magnetism and doping on the electron-phonon coupling in BaFe 2 As 2 journal, July 2010

Wave-vector-dependent electron-phonon coupling and the charge-density-wave transition in TbT e 3 journal, June 2015

Magnetization properties and vortex phase diagram of Cu x TiSe 2 single crystals journal, November 2013

An alternative interpretation of recent ARPES measurements on TiSe 2 journal, February 2010

Exciton-phonon-driven charge density wave in TiSe 2 journal, April 2010

Electron-Phonon Coupling in the Conventional Superconductor YNi 2 B 2 C at High Phonon Energies Studied by Time-of-Flight Neutron Spectroscopy journal, July 2012

Superconductivity in CuxTiSe2 journal, July 2006

Transition temperature of strong-coupling superconductors journal, September 1982

On the origin of charge-density waves in select layered transition-metal dichalcogenides journal, May 2011

Linear response in a density-functional mixed-basis approach journal, August 1999

Time-domain classification of charge-density-wave insulators journal, January 2012

Extended Phonon Collapse and the Origin of the Charge-Density Wave in 2 H − NbSe 2 journal, September 2011

Non-thermal separation of electronic and structural orders in a persisting charge density wave journal, July 2014

Impact ionization dynamics in small band-gap two-dimensional materials from a coherent phonon mechanism journal, July 2019

Spectroscopic fingerprints of many-body renormalization in 1 T − TiSe 2 journal, July 2019

Honeycomb lattice type charge density wave associated with interlayer Cu ions ordering in 1 T − C u x TiS e 2 journal, February 2019

Electron-phonon coupling and superconductivity-induced distortion of the phonon lineshape in V 3 Si journal, April 2019

Title: Superconductivity and hybrid soft modes in $Ti {Se}_{2}$

Pressure-Induced Superconducting Phase in the Charge-Density-Wave Compound Terbium Tritelluride
journal, April 2009

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

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

Lattice Dynamics and Electron-Phonon Interaction in (3,3) Carbon Nanotubes
journal, December 2004

Is ${LaFeAsO}_{1 - x} F_{x}$ an Electron-Phonon Superconductor?
journal, July 2008

Phonon Dispersion and Electron-Phonon Coupling in ${MgB}_{2}$ and ${AlB}_{2}$
journal, June 2001

Model for an Exciton Mechanism of Superconductivity
journal, February 1973

Phonons in doped and undoped ${BaFe}_{2} {As}_{2}$ investigated by inelastic x-ray scattering
journal, December 2009

Emergence of charge density wave domain walls above the superconducting dome in 1T-TiSe2
journal, April 2014

Ab initio computation of the transition temperature of the charge density wave transition in $TiS e_{2}$
journal, December 2015

Pressure dependence of the charge-density-wave and superconducting states in ${GdTe}_{3}, {TbTe}_{3}$ , and ${DyTe}_{3}$
journal, May 2015

Optical phonons and the soft mode in 2 $H$ -NbSe $_{2}$
journal, June 2013

Neutron Scattering with a Triple-Axis Spectrometer
book, January 2009

Charge-density-wave phase transition in $1 T - {TiSe}_{2} :$ Excitonic insulator versus band-type Jahn-Teller mechanism
journal, May 2002

Exciton Condensation Driving the Periodic Lattice Distortion of $1 T − {TiSe}_{2}$
journal, March 2011

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

Lattice dynamical properties of superconducting ${SrPt}_{3} P$ studied via inelastic x-ray scattering and density functional perturbation theory
journal, December 2015

Exciton instability and crystallographic anomalies in semiconductors
journal, February 1965

From Mott state to superconductivity in 1T-TaS2
journal, November 2008

Point-contact tunneling spectroscopy measurement of ${Cu}_{x} {TiSe}_{2}$ : Disorder-enhanced Coulomb effects
journal, March 2015

Probing the exciton condensate phase in 1 T -TiSe ₂ with photoemission
journal, December 2010

Electron-Phonon Coupling and the Soft Phonon Mode in ${TiSe}_{2}$
journal, December 2011

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

Phonon dispersion and electron-phonon interaction for YBa ₂ Cu ₃ O ₇ from first-principles calculations
journal, October 2003

Exciton-phonon interactions and superconductivity bordering charge order in TiSe $_{2}$
journal, January 2011

Excitonic Insulator
journal, June 1967

Phonons and related crystal properties from density-functional perturbation theory
journal, July 2001

Phonons and electron-phonon coupling in YNi $_{2}$ B $_{2}$ C
journal, March 2014

Mapping of Electron-Hole Excitations in the Charge-Density-Wave System $1 T − {TiSe}_{2}$ Using Resonant Inelastic X-Ray Scattering
journal, July 2012

Strong anharmonicity induces quantum melting of charge density wave in $2 H - {NbSe}_{2}$ under pressure
journal, October 2015

Superconducting energy gap of $2 H − NbS e_{2}$ in phonon spectroscopy
journal, October 2016

Emergence of Fermi Pockets in a New Excitonic Charge-Density-Wave Melted Superconductor
journal, March 2007

Band structure and lattice instability of Ti ${Se}_{2}$
journal, February 1978

Growth of faceted niobium diselenide
journal, March 1994

Possibility of Synthesizing an Organic Superconductor
journal, June 1964

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

Evolution of the Electronic Structure of $1 T − {Cu}_{x} {TiSe}_{2}$
journal, October 2007

Heat capacity of single-crystal Cu $_{x}$ TiSe $_{2}$ superconductors
journal, July 2013

Effects of magnetism and doping on the electron-phonon coupling in ${BaFe}_{2} {As}_{2}$
journal, July 2010

Wave-vector-dependent electron-phonon coupling and the charge-density-wave transition in $TbT e_{3}$
journal, June 2015

Magnetization properties and vortex phase diagram of Cu $_{x}$ TiSe $_{2}$ single crystals
journal, November 2013

An alternative interpretation of recent ARPES measurements on TiSe ₂
journal, February 2010

Exciton-phonon-driven charge density wave in ${TiSe}_{2}$
journal, April 2010

Electron-Phonon Coupling in the Conventional Superconductor ${YNi}_{2} B_{2} C$ at High Phonon Energies Studied by Time-of-Flight Neutron Spectroscopy
journal, July 2012

Superconductivity in CuxTiSe2
journal, July 2006

Transition temperature of strong-coupling superconductors
journal, September 1982

On the origin of charge-density waves in select layered transition-metal dichalcogenides
journal, May 2011

Linear response in a density-functional mixed-basis approach
journal, August 1999

Time-domain classification of charge-density-wave insulators
journal, January 2012

Extended Phonon Collapse and the Origin of the Charge-Density Wave in $2 H − {NbSe}_{2}$
journal, September 2011

Non-thermal separation of electronic and structural orders in a persisting charge density wave
journal, July 2014

Impact ionization dynamics in small band-gap two-dimensional materials from a coherent phonon mechanism
journal, July 2019

Spectroscopic fingerprints of many-body renormalization in $1 T − {TiSe}_{2}$
journal, July 2019

Honeycomb lattice type charge density wave associated with interlayer Cu ions ordering in $1 T - C u_{x} TiS e_{2}$
journal, February 2019

Electron-phonon coupling and superconductivity-induced distortion of the phonon lineshape in $V_{3} Si$
journal, April 2019