Td to 1T' structural phase transition in the WTe2 Weyl semimetal

Tao, Yu; Schneeloch, John A.; Aczel, Adam A.; Louca, Despina

doi:10.1103/physrevb.102.060103

Title: T_d to 1T' structural phase transition in the WTe₂ Weyl semimetal

Abstract

Elastic neutron scattering on a single crystal combined with powder x-ray diffraction measurements were carried out to investigate how the crystal structure evolves as a function of temperature in the Weyl semimetal WTe2. A sharp transition from the low-temperature orthorhombic phase (Td) to the high-temperature monoclinic phase (1T') was observed at ambient pressure in the single crystal near ~565 K. Unlike in MoTe2, the solid-solid transition from Td to 1T' occurs without the cell doubling of the intermediate T*d phase with AABB (or ABBA) layer stacking. In powders, however, the thermal transition from the Td to the 1T' phase was broadened and a two-phase coexistence was observed until 700 K, well above the structural transition.

Authors:

^[1];

^[2]; Louca, Despina ^[1]

University of Virginia, Charlottesville, VA (United States)
Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States); University of Tennessee, Knoxville, TN (United States)

Publication Date:: Mon Aug 24 00:00:00 EDT 2020

Research Org.:: Univ. of Virginia, Charlottesville, VA (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

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

OSTI Identifier:: 1652426

Alternate Identifier(s):: OSTI ID: 1706269

Grant/Contract Number:: FG02-01ER45927; AC05-00OR22725

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review B

Additional Journal Information:: Journal Volume: 102; Journal Issue: 6; 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; Structural phase transition; Weyl semimetal; Neutron scattering

Citation Formats


                    Tao, Yu, Schneeloch, John A., Aczel, Adam A., and Louca, Despina. Td to 1T' structural phase transition in the WTe2 Weyl semimetal.  United States: N. p., 2020. 
Web.  doi:10.1103/physrevb.102.060103.

Copy to clipboard


                    Tao, Yu, Schneeloch, John A., Aczel, Adam A., & Louca, Despina. Td to 1T' structural phase transition in the WTe2 Weyl semimetal.  United States.  https://doi.org/10.1103/physrevb.102.060103

Copy to clipboard


                    Tao, Yu, Schneeloch, John A., Aczel, Adam A., and Louca, Despina. Mon .  
"Td to 1T' structural phase transition in the WTe2 Weyl semimetal".  United States.  https://doi.org/10.1103/physrevb.102.060103.  https://www.osti.gov/servlets/purl/1652426.

Copy to clipboard


                    
@article{osti_1652426,

  title        = {Td to 1T' structural phase transition in the WTe2 Weyl semimetal},

  author       = {Tao, Yu and Schneeloch, John A. and Aczel, Adam A. and Louca, Despina},

  abstractNote = {Elastic neutron scattering on a single crystal combined with powder x-ray diffraction measurements were carried out to investigate how the crystal structure evolves as a function of temperature in the Weyl semimetal WTe2. A sharp transition from the low-temperature orthorhombic phase (Td) to the high-temperature monoclinic phase (1T') was observed at ambient pressure in the single crystal near ~565 K. Unlike in MoTe2, the solid-solid transition from Td to 1T' occurs without the cell doubling of the intermediate T*d phase with AABB (or ABBA) layer stacking. In powders, however, the thermal transition from the Td to the 1T' phase was broadened and a two-phase coexistence was observed until 700 K, well above the structural transition.},

  doi          = {10.1103/physrevb.102.060103},

  journal      = {Physical Review B},

  number       = 6,

  volume       = 102,

  place        = {United States},

  year         = {Mon Aug 24 00:00:00 EDT 2020},

  month        = {Mon Aug 24 00:00:00 EDT 2020}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (DOE)

Publisher's Version of Record

https://doi.org/10.1103/physrevb.102.060103

Other availability

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

Dramatically decreased magnetoresistance in non-stoichiometric WTe2 crystals
journal, May 2016

Lv, Yang-Yang; Zhang, Bin-Bin; Li, Xiao
Scientific Reports, Vol. 6, Issue 1
DOI: 10.1038/srep26903

Elastic and electronic tuning of magnetoresistance in MoTe ₂
journal, December 2017

Yang, Junjie; Colen, Jonathan; Liu, Jun
Science Advances, Vol. 3, Issue 12
DOI: 10.1126/sciadv.aao4949

Barkhausen effect in the first order structural phase transition in type-II Weyl semimetal MoTe ₂
journal, October 2018

Cao, Chuanwu; Liu, Xin; Ren, Xiao
2D Materials, Vol. 5, Issue 4
DOI: 10.1088/2053-1583/aae0de

Appearance of a $T_{d}^{*}$ phase across the $T_{d} - 1 T^{'}$ phase boundary in the Weyl semimetal ${MoTe}_{2}$
journal, September 2019

Tao, Yu; Schneeloch, John A.; Duan, Chunruo
Physical Review B, Vol. 100, Issue 10
DOI: 10.1103/PhysRevB.100.100101

Pressure-Induced Phase Transition in Weyl Semimetallic WTe ₂
journal, August 2017

Xia, Juan; Li, Dong-Fei; Zhou, Jia-Dong
Small, Vol. 13, Issue 40
DOI: 10.1002/smll.201701887

Large, non-saturating magnetoresistance in WTe2
journal, September 2014

Ali, Mazhar N.; Xiong, Jun; Flynn, Steven
Nature, Vol. 514, Issue 7521
DOI: 10.1038/nature13763

A low-temperature structural phase transition in β-MoTe ₂
journal, August 1978

Clarke, R.; Marseglia, E.; Hughes, H. P.
Philosophical Magazine B, Vol. 38, Issue 2
DOI: 10.1080/13642817808245670

Emergence of topologically protected states in the ${MoTe}_{2}$ Weyl semimetal with layer-stacking order
journal, April 2019

Schneeloch, John A.; Duan, Chunruo; Yang, Junjie
Physical Review B, Vol. 99, Issue 16
DOI: 10.1103/PhysRevB.99.161105

Mechanical control of crystal symmetry and superconductivity in Weyl semimetal ${MoTe}_{2}$
journal, July 2018

Heikes, Colin; Liu, I-Lin; Metz, Tristin
Physical Review Materials, Vol. 2, Issue 7
DOI: 10.1103/PhysRevMaterials.2.074202

Engineering the Structural and Electronic Phases of MoTe ₂ through W Substitution
journal, February 2017

Rhodes, D.; Chenet, D. A.; Janicek, B. E.
Nano Letters, Vol. 17, Issue 3
DOI: 10.1021/acs.nanolett.6b04814

Tunable structural phase transition and superconductivity in the Weyl semimetal ${Mo}_{1 - x} W_{x} {Te}_{2}$
journal, April 2020

Dahal, R.; Deng, L. Z.; Poudel, N.
Physical Review B, Vol. 101, Issue 14
DOI: 10.1103/PhysRevB.101.140505

Origin of superconductivity in the Weyl semimetal $WT e_{2}$ under pressure
journal, December 2016

Lu, Pengchao; Kim, Joon-Seok; Yang, Jing
Physical Review B, Vol. 94, Issue 22
DOI: 10.1103/PhysRevB.94.224512

Composition dependent phase transition and its induced hysteretic effect in the thermal conductivity of W _x Mo _1−x Te ₂
journal, May 2017

Yan, Xue-Jun; Lv, Yang-Yang; Li, Lei
Applied Physics Letters, Vol. 110, Issue 21
DOI: 10.1063/1.4984143

GSAS-II : the genesis of a modern open-source all purpose crystallography software package
journal, March 2013

Toby, Brian H.; Von Dreele, Robert B.
Journal of Applied Crystallography, Vol. 46, Issue 2
DOI: 10.1107/S0021889813003531

Te vacancy-driven superconductivity in orthorhombic molybdenum ditelluride
journal, June 2017

Cho, Suyeon; Kang, Se Hwang; Yu, Ho Sung
2D Materials, Vol. 4, Issue 2
DOI: 10.1088/2053-1583/aa735e

Experimental observation of topological Fermi arcs in type-II Weyl semimetal MoTe2
journal, September 2016

Deng, Ke; Wan, Guoliang; Deng, Peng
Nature Physics, Vol. 12, Issue 12
DOI: 10.1038/nphys3871

The structural phases and vibrational properties of Mo _1−x W _x Te ₂ alloys
journal, August 2017

Oliver, Sean M.; Beams, Ryan; Krylyuk, Sergiy
2D Materials, Vol. 4, Issue 4
DOI: 10.1088/2053-1583/aa7a32

Electronic band tuning under pressure in MoTe2 topological semimetal
journal, August 2019

Dissanayake, Sachith; Duan, Chunruo; Yang, Junjie
npj Quantum Materials, Vol. 4, Issue 1
DOI: 10.1038/s41535-019-0187-7

Composition and temperature-dependent phase transition in miscible Mo1−xWxTe2 single crystals
journal, March 2017

Lv, Yang-Yang; Cao, Lin; Li, Xiao
Scientific Reports, Vol. 7, Issue 1
DOI: 10.1038/srep44587

The crystal structures of WTe ₂ and high-temperature MoTe ₂
journal, February 1966

Brown, B. E.
Acta Crystallographica, Vol. 20, Issue 2
DOI: 10.1107/S0365110X66000513

Drastic Pressure Effect on the Extremely Large Magnetoresistance in ${WTe}_{2}$ : Quantum Oscillation Study
journal, July 2015

Cai, P. L.; Hu, J.; He, L. P.
Physical Review Letters, Vol. 115, Issue 5
DOI: 10.1103/PhysRevLett.115.057202

Origin of magnetoresistance suppression in thin $γ − MoT e_{2}$
journal, June 2018

Zhong, Shazhou; Tiwari, Archana; Nichols, George
Physical Review B, Vol. 97, Issue 24
DOI: 10.1103/PhysRevB.97.241409

Observation of Fermi arcs in the type-II Weyl semimetal candidate ${WTe}_{2}$
journal, September 2016

Wu, Yun; Mou, Daixiang; Jo, Na Hyun
Physical Review B, Vol. 94, Issue 12
DOI: 10.1103/PhysRevB.94.121113

Pressure-induced Td to 1T′ structural phase transition in WTe ₂
journal, July 2016

Zhou, Yonghui; Chen, Xuliang; Li, Nana
AIP Advances, Vol. 6, Issue 7
DOI: 10.1063/1.4959026

Superconductivity in Weyl semimetal candidate MoTe2
journal, March 2016

Qi, Yanpeng; Naumov, Pavel G.; Ali, Mazhar N.
Nature Communications, Vol. 7, Issue 1
DOI: 10.1038/ncomms11038

Dimensionality-driven orthorhombic $MoT e_{2}$ at room temperature
journal, January 2018

He, Rui; Zhong, Shazhou; Kim, Hyun Ho
Physical Review B, Vol. 97, Issue 4
DOI: 10.1103/PhysRevB.97.041410

Similar Records in DOE PAGES and OSTI.GOV collections:

Pressure Induced Topological Quantum Phase Transition in Weyl Semimetal T_d-MoTe₂

Journal Article Guguchia, Zurab ; dos Santos, Antonio M. ; von Rohr, Fabian O. ; ... - Journal of the Physical Society of Japan

We report the temperature and pressure (pmax≃1.5 GPa) evolution of the crystal structure of the Weyl semimetal Td-MoTe2 by combination of neutron diffraction and the X-ray total scattering experiments. We find that the fundamental non-centrosymmetric structure Td is fully suppressed and transforms into a centrosymmertic 1T' structure at a critical pressure of pcr ~ 1.2–1.4 GPa. This is strong evidence for a pressure induced quantum phase transition (QPT) between topological to a trivial electronic state. Although the topological QPT has strong effect on magnetoresistance, it is interesting that the superconducting (SC) critical temperature Tc, the superfluid density, and the SCmore »« less
https://doi.org/10.7566/jpsj.89.094707

Full Text Available
Evolution of the structural transition in Mo_1–xW_xTe₂

Journal Article Schneeloch, John A. ; Tao, Yu ; Duan, Chunruo ; ... - Physical Review. B

The composition dependence of the structural transition between the monoclinic 1T' and orthorhombic Td phases in the Mo1-xWxTe2 Weyl semimetal was investigated by elastic neutron scattering on single crystals up to x≈0.54. First observed in MoTe2, the transition from Td to 1T' is accompanied by an intermediate pseudo-orthorhombic phase, T*d. Upon doping with W, the T*d phase vanishes by x≈0.34. Above this concentration, a phase coexistence behavior with both Td and 1T' is observed instead. The interlayer in-plane positioning parameter δ, which relates to the 1T'β angle, decreases with temperature as well as with W substitution, likely due to strongmore »« less
Cited by 4
https://doi.org/10.1103/physrevb.102.054105

Full Text Available
Lifshitz Transitions Induced by Temperature and Surface Doping in Type-II Weyl Semimetal Candidate T_d-WTe₂

Journal Article Zhang, Qihang ; Liu, Zhongkai ; Sun, Yan ; ... - Physica Status Solidi rrl

Using high resolution angle‐resolved photoemission spectroscopy, we systematically investigate the electronic structure of T _d ‐WTe ₂ , which has attracted substantial research attention due to its diverse and fascinating properties, especially the predicted type‐II topological Weyl semimetal (TWS) phase. The observed significant lattice contraction and the fact that our ARPES measurements are well reproduced by our ab initio calculations under reduced lattice constants support the theoretical prediction of a type‐II TWS phase in T _d ‐WTe ₂ at temperatures below 10 K. We also investigate the evolution of the electronic structure of T _dmore »« less
Cited by 14
https://doi.org/10.1002/pssr.201700209

Full Text Available
NMR Investigation of the WTe{sub 2} Weyl Semimetal below the Topological Transition Temperature

Journal Article Antonenko, A. O. ; Charnaya, E. V., E-mail: charnaya@mail.ru ; Lee, M. K. ; ... - Physics of the Solid State

NMR investigations are performed on {sup 125}Te nuclei of WTe{sub 2} Weyl topological semimetal at temperatures of 41 and 293 K. The measurements were carried out using a Bruker Avance 500 NMR pulse spectrometer. The {sup 125}Te NMR spectra for a WTe{sub 2} single crystal are obtained for the orientation of crystal axis c parallel and perpendicular to the quantizing field. A complicated form of the spectra was related to the presence of four nonequivalent positions of tellurium atoms in the crystalline structure of WTe{sub 2}. The longitudinal magnetization recovery was studied after the pulse saturation for particular spectral lines.more »« less
https://doi.org/10.1134/S1063783419110040
Appearance of a $T_{d}^{*}$ phase across the $T_{d} - 1 T^{'}$ phase boundary in the Weyl semimetal ${MoTe}_{2}$

Journal Article Tao, Yu ; Schneeloch, John A. ; Duan, Chunruo ; ... - Physical Review B

Using elmore »« less
Cited by 13
https://doi.org/10.1103/PhysRevB.100.100101

Full Text Available

Similar Records

Title: Td to 1T' structural phase transition in the WTe2 Weyl semimetal

Abstract

Citation Formats

Dramatically decreased magnetoresistance in non-stoichiometric WTe2 crystals journal, May 2016

Elastic and electronic tuning of magnetoresistance in MoTe 2 journal, December 2017

Barkhausen effect in the first order structural phase transition in type-II Weyl semimetal MoTe 2 journal, October 2018

Appearance of a T d * phase across the T d − 1 T ′ phase boundary in the Weyl semimetal MoTe 2 journal, September 2019

Pressure-Induced Phase Transition in Weyl Semimetallic WTe 2 journal, August 2017

Large, non-saturating magnetoresistance in WTe2 journal, September 2014

A low-temperature structural phase transition in β-MoTe 2 journal, August 1978

Emergence of topologically protected states in the MoTe 2 Weyl semimetal with layer-stacking order journal, April 2019

Mechanical control of crystal symmetry and superconductivity in Weyl semimetal MoTe 2 journal, July 2018

Engineering the Structural and Electronic Phases of MoTe 2 through W Substitution journal, February 2017

Tunable structural phase transition and superconductivity in the Weyl semimetal Mo 1 − x W x Te 2 journal, April 2020

Origin of superconductivity in the Weyl semimetal WT e 2 under pressure journal, December 2016

Composition dependent phase transition and its induced hysteretic effect in the thermal conductivity of W x Mo 1−x Te 2 journal, May 2017

GSAS-II : the genesis of a modern open-source all purpose crystallography software package journal, March 2013

Te vacancy-driven superconductivity in orthorhombic molybdenum ditelluride journal, June 2017

Experimental observation of topological Fermi arcs in type-II Weyl semimetal MoTe2 journal, September 2016

The structural phases and vibrational properties of Mo 1−x W x Te 2 alloys journal, August 2017

Electronic band tuning under pressure in MoTe2 topological semimetal journal, August 2019

Composition and temperature-dependent phase transition in miscible Mo1−xWxTe2 single crystals journal, March 2017

The crystal structures of WTe 2 and high-temperature MoTe 2 journal, February 1966

Drastic Pressure Effect on the Extremely Large Magnetoresistance in WTe 2 : Quantum Oscillation Study journal, July 2015

Origin of magnetoresistance suppression in thin γ − MoT e 2 journal, June 2018

Observation of Fermi arcs in the type-II Weyl semimetal candidate WTe 2 journal, September 2016

Pressure-induced Td to 1T′ structural phase transition in WTe 2 journal, July 2016

Superconductivity in Weyl semimetal candidate MoTe2 journal, March 2016

Dimensionality-driven orthorhombic MoT e 2 at room temperature journal, January 2018

Title: T_d to 1T' structural phase transition in the WTe₂ Weyl semimetal

Dramatically decreased magnetoresistance in non-stoichiometric WTe2 crystals
journal, May 2016

Elastic and electronic tuning of magnetoresistance in MoTe ₂
journal, December 2017

Barkhausen effect in the first order structural phase transition in type-II Weyl semimetal MoTe ₂
journal, October 2018

Appearance of a $T_{d}^{*}$ phase across the $T_{d} - 1 T^{'}$ phase boundary in the Weyl semimetal ${MoTe}_{2}$
journal, September 2019

Pressure-Induced Phase Transition in Weyl Semimetallic WTe ₂
journal, August 2017

Large, non-saturating magnetoresistance in WTe2
journal, September 2014

A low-temperature structural phase transition in β-MoTe ₂
journal, August 1978

Emergence of topologically protected states in the ${MoTe}_{2}$ Weyl semimetal with layer-stacking order
journal, April 2019

Mechanical control of crystal symmetry and superconductivity in Weyl semimetal ${MoTe}_{2}$
journal, July 2018

Engineering the Structural and Electronic Phases of MoTe ₂ through W Substitution
journal, February 2017

Tunable structural phase transition and superconductivity in the Weyl semimetal ${Mo}_{1 - x} W_{x} {Te}_{2}$
journal, April 2020

Origin of superconductivity in the Weyl semimetal $WT e_{2}$ under pressure
journal, December 2016

Composition dependent phase transition and its induced hysteretic effect in the thermal conductivity of W _x Mo _1−x Te ₂
journal, May 2017

GSAS-II : the genesis of a modern open-source all purpose crystallography software package
journal, March 2013

Te vacancy-driven superconductivity in orthorhombic molybdenum ditelluride
journal, June 2017

Experimental observation of topological Fermi arcs in type-II Weyl semimetal MoTe2
journal, September 2016

The structural phases and vibrational properties of Mo _1−x W _x Te ₂ alloys
journal, August 2017

Electronic band tuning under pressure in MoTe2 topological semimetal
journal, August 2019

Composition and temperature-dependent phase transition in miscible Mo1−xWxTe2 single crystals
journal, March 2017

The crystal structures of WTe ₂ and high-temperature MoTe ₂
journal, February 1966

Drastic Pressure Effect on the Extremely Large Magnetoresistance in ${WTe}_{2}$ : Quantum Oscillation Study
journal, July 2015

Origin of magnetoresistance suppression in thin $γ − MoT e_{2}$
journal, June 2018

Observation of Fermi arcs in the type-II Weyl semimetal candidate ${WTe}_{2}$
journal, September 2016

Pressure-induced Td to 1T′ structural phase transition in WTe ₂
journal, July 2016

Superconductivity in Weyl semimetal candidate MoTe2
journal, March 2016

Dimensionality-driven orthorhombic $MoT e_{2}$ at room temperature
journal, January 2018