A Gapped Phase in Semimetallic Td-WTe2 Induced by Lithium Intercalation

Wang, Mengjing; Kumar, Aakash; Dong, Hao; Woods, John M.; Pondick, Joshua V.; Xu, Shiyu; Hynek, David J.; Guo, Peijun; Qiu, Diana Y.; Cha, Judy J.

doi:10.1002/adma.202200861

A Gapped Phase in Semimetallic T_d-WTe₂ Induced by Lithium Intercalation

Journal Article · Sat Apr 30 00:00:00 EDT 2022 · Advanced Materials

DOI:https://doi.org/10.1002/adma.202200861· OSTI ID:1976210

Wang, Mengjing ^[1]; Kumar, Aakash ^[2]; Dong, Hao ^[3]; Woods, John M. ^[2]; Pondick, Joshua V. ^[2]; Xu, Shiyu ^[2]; Hynek, David J. ^[2]; Guo, Peijun ^[3]; Qiu, Diana Y. ^[2]; ^[2]

Yale University, New Haven, CT (United States); Energy Sciences Institute, West Haven, Ct (United States); OSTI
Yale University, New Haven, CT (United States); Energy Sciences Institute, West Haven, Ct (United States)
Energy Sciences Institute, West Haven, Ct (United States); Yale University, New Haven, CT (United States)

The Weyl semimetal WTe₂ has shown several correlated electronic behaviors, such as the quantum spin Hall effect, superconductivity, ferroelectricity, and a possible exciton insulator state, all of which can be tuned by various physical and chemical approaches. A new electronic phase in WTe₂ induced by lithium intercalation is discovered. The new phase exhibits an increasing resistivity with decreasing temperature and its carrier density is almost two orders of magnitude lower than the carrier density of the semimetallic T_d phase, probed by in situ Hall measurements as a function of lithium intercalation. The theoretical calculations predict the new lithiated phase to be a potential charge density wave (CDW) phase with a bandgap of ≈0.14 eV, in good agreement with the in situ transport data. The new phase is structurally distinct from the initial T_d phase, characterized by polarization-angle-dependent Raman spectroscopy, and large lattice distortions close to 6% are predicted in the new phase. This finding of a new gapped phase in a 2D semimetal demonstrates electrochemical intercalation as a powerful tuning knob for modulating electron density and phase stability in 2D materials.

View Accepted Manuscript (DOE)

Research Organization:: Yale University, New Haven, CT (United States)

Sponsoring Organization:: Air Force Research Laboratory (AFRL); Army Research Office (ARO); Moore Foundation; National Aeronautics and Space Administration (NASA); National Science Foundation (NSF); Office of Naval Research (ONR); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-05CH11231; AC05-00OR22725; SC0021965

OSTI ID:: 1976210

Journal Information:: Advanced Materials, Journal Name: Advanced Materials Journal Issue: 24 Vol. 34; ISSN 0935-9648

Publisher:: WileyCopyright Statement

Country of Publication:: United States

Language:: English

References (36)

Unconventional Charge–Spin Conversion in Weyl‐Semimetal WTe ₂ Zhao, Bing; Karpiak, Bogdan; Khokhriakov, Dmitrii Advanced Materials, Vol. 32, Issue 38 https://doi.org/10.1002/adma.202000818	journal	August 2020
Highly Efficient Uniaxial In‐Plane Stretching of a 2D Material via Ion Insertion Muscher, Philipp K.; Rehn, Daniel A.; Sood, Aditya Advanced Materials, Vol. 33, Issue 37 https://doi.org/10.1002/adma.202101875	journal	July 2021
Revisiting Intercalation‐Induced Phase Transitions in 2D Group VI Transition Metal Dichalcogenides Wang, Mengjing; Xu, Shiyu; Cha, Judy J. Advanced Energy and Sustainability Research, Vol. 2, Issue 8 https://doi.org/10.1002/aesr.202100027	journal	May 2021
Pseudopotentials periodic table: From H to Pu Dal Corso, Andrea Computational Materials Science, Vol. 95 https://doi.org/10.1016/j.commatsci.2014.07.043	journal	December 2014
The AFLOW Library of Crystallographic Prototypes: Part 1 Mehl, Michael J.; Hicks, David; Toher, Cormac Computational Materials Science, Vol. 136 https://doi.org/10.1016/j.commatsci.2017.01.017	journal	August 2017
First principles phonon calculations in materials science Togo, Atsushi; Tanaka, Isao Scripta Materialia, Vol. 108 https://doi.org/10.1016/j.scriptamat.2015.07.021	journal	November 2015
Superconductivity in Potassium-Intercalated T _d -WTe ₂ Zhu, Li; Li, Qi-Yuan; Lv, Yang-Yang Nano Letters, Vol. 18, Issue 10 https://doi.org/10.1021/acs.nanolett.8b03180	journal	September 2018
Heterointerface Effects on Lithium-Induced Phase Transitions in Intercalated MoS ₂ Yazdani, Sajad; Pondick, Joshua V.; Kumar, Aakash ACS Applied Materials & Interfaces, Vol. 13, Issue 8 https://doi.org/10.1021/acsami.0c21495	journal	February 2021
Suppression of Magnetoresistance in Thin WTe ₂ Flakes by Surface Oxidation Woods, John M.; Shen, Jie; Kumaravadivel, Piranavan ACS Applied Materials & Interfaces, Vol. 9, Issue 27 https://doi.org/10.1021/acsami.7b04934	journal	June 2017
Heterointerface Control over Lithium-Induced Phase Transitions in MoS₂ Nanosheets: Implications for Nanoscaled Energy Materials Pondick, Joshua V.; Kumar, Aakash; Wang, Mengjing ACS Applied Nano Materials, Vol. 4, Issue 12 https://doi.org/10.1021/acsanm.1c03402	journal	November 2021
Photoluminescence from Chemically Exfoliated MoS₂ Eda, Goki; Yamaguchi, Hisato; Voiry, Damien Nano Letters, Vol. 11, Issue 12, p. 5111-5116 https://doi.org/10.1021/nl201874w	journal	December 2011
Large, non-saturating magnetoresistance in WTe2 Ali, Mazhar N.; Xiong, Jun; Flynn, Steven Nature, Vol. 514, Issue 7521 https://doi.org/10.1038/nature13763	journal	September 2014
Superconductivity emerging from a suppressed large magnetoresistant state in tungsten ditelluride Kang, Defen; Zhou, Yazhou; Yi, Wei Nature Communications, Vol. 6, Issue 1 https://doi.org/10.1038/ncomms8804	journal	July 2015
From Mott state to superconductivity in 1T-TaS2 Sipos, B.; Kusmartseva, A. F.; Akrap, A. Nature Materials, Vol. 7, Issue 12 https://doi.org/10.1038/nmat2318	journal	November 2008
Gate-tunable phase transitions in thin flakes of 1T-TaS2 Yu, Yijun; Yang, Fangyuan; Lu, Xiu Fang Nature Nanotechnology, Vol. 10, Issue 3 https://doi.org/10.1038/nnano.2014.323	journal	January 2015
Control of spin–orbit torques through crystal symmetry in WTe2/ferromagnet bilayers MacNeill, D.; Stiehl, G. M.; Guimaraes, M. H. D. Nature Physics, Vol. 13, Issue 3 https://doi.org/10.1038/nphys3933	journal	November 2016
Quantum spin Hall state in monolayer 1T'-WTe2 Tang, Shujie; Zhang, Chaofan; Wong, Dillon Nature Physics, Vol. 13, Issue 7 https://doi.org/10.1038/nphys4174	journal	June 2017
Evidence of topological boundary modes with topological nodal-point superconductivity Nayak, Abhay Kumar; Steinbok, Aviram; Roet, Yotam Nature Physics, Vol. 17, Issue 12 https://doi.org/10.1038/s41567-021-01376-z	journal	October 2021
Evidence for a monolayer excitonic insulator Jia, Yanyu; Wang, Pengjie; Chiu, Cheng-Li Nature Physics, Vol. 18, Issue 1 https://doi.org/10.1038/s41567-021-01422-w	journal	December 2021
Evidence for equilibrium exciton condensation in monolayer WTe2 Sun, Bosong; Zhao, Wenjin; Palomaki, Tauno Nature Physics, Vol. 18, Issue 1 https://doi.org/10.1038/s41567-021-01427-5	journal	December 2021
Heterointerface effects in the electrointercalation of van der Waals heterostructures Bediako, D. Kwabena; Rezaee, Mehdi; Yoo, Hyobin Nature, Vol. 558, Issue 7710 https://doi.org/10.1038/s41586-018-0205-0	journal	June 2018
Ferroelectric switching of a two-dimensional metal Fei, Zaiyao; Zhao, Wenjin; Palomaki, Tauno A. Nature, Vol. 560, Issue 7718 https://doi.org/10.1038/s41586-018-0336-3	journal	July 2018
Gate-tunable superconductivity and charge-density wave in monolayer 1T′-MoTe₂ and 1T′-WTe₂ Lee, Jun-Ho; Son, Young-Woo Physical Chemistry Chemical Physics, Vol. 23, Issue 32 https://doi.org/10.1039/D1CP02214H	journal	January 2021
A density-functional model of the dispersion interaction Becke, Axel D.; Johnson, Erin R. The Journal of Chemical Physics, Vol. 123, Issue 15 https://doi.org/10.1063/1.2065267	journal	October 2005
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
A grid-based Bader analysis algorithm without lattice bias Tang, W.; Sanville, E.; Henkelman, G. Journal of Physics: Condensed Matter, Vol. 21, Issue 8 https://doi.org/10.1088/0953-8984/21/8/084204	journal	January 2009
Determination of the thickness and orientation of few-layer tungsten ditelluride using polarized Raman spectroscopy Kim, Minjung; Han, Songhee; Kim, Jung Hwa 2D Materials, Vol. 3, Issue 3 https://doi.org/10.1088/2053-1583/3/3/034004	journal	August 2016
Special points for Brillouin-zone integrations Monkhorst, Hendrik J.; Pack, James D. Physical Review B, Vol. 13, Issue 12, p. 5188-5192 https://doi.org/10.1103/PhysRevB.13.5188	journal	June 1976
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Soft-Mode-Phonon-Mediated Unconventional Superconductivity in Monolayer 1 T ′ − WTe 2 Yang, Wei; Mo, Chong-Jie; Fu, Shi-Bin Physical Review Letters, Vol. 125, Issue 23 https://doi.org/10.1103/PhysRevLett.125.237006	journal	December 2020
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
Superconducting Dome in a Gate-Tuned Band Insulator Ye, J. T.; Zhang, Y. J.; Akashi, R. Science, Vol. 338, Issue 6111 https://doi.org/10.1126/science.1228006	journal	November 2012
Observation of the quantum spin Hall effect up to 100 kelvin in a monolayer crystal Wu, Sanfeng; Fatemi, Valla; Gibson, Quinn D. Science, Vol. 359, Issue 6371 https://doi.org/10.1126/science.aan6003	journal	January 2018
Gate-induced superconductivity in a monolayer topological insulator Sajadi, Ebrahim; Palomaki, Tauno; Fei, Zaiyao Science, Vol. 362, Issue 6417 https://doi.org/10.1126/science.aar4426	journal	October 2018
Electrically tunable low-density superconductivity in a monolayer topological insulator Fatemi, Valla; Wu, Sanfeng; Cao, Yuan Science, Vol. 362, Issue 6417 https://doi.org/10.1126/science.aar4642	journal	October 2018
New Lithium- and Ethylenediamine-Intercalated Superconductors Li_x(C₂H₈N₂)_yWTe₂ Ono, Masato; Noji, Takashi; Harada, Mimori Journal of the Physical Society of Japan, Vol. 90, Issue 1 https://doi.org/10.7566/JPSJ.90.014706	journal	January 2021

Similar Records

Role of Heterointerface in Lithium-Induced Phase Transition in T_d-WTe₂ Nanoflakes

Journal Article · Tue Feb 13 19:00:00 EST 2024 · ACS Applied Electronic Materials · OSTI ID:2311084

Lithiation Induced Phases in 1T'-MoTe₂ Nanoflakes

Journal Article · Mon Jun 17 20:00:00 EDT 2024 · ACS Nano · OSTI ID:2432572

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
charge density waves
electron doping
lithium intercalation
phase transitions
tungsten ditelluride

A Gapped Phase in Semimetallic Td-WTe2 Induced by Lithium Intercalation

Citation Formats

References (36)

Similar Records

Related Subjects

A Gapped Phase in Semimetallic T_d-WTe₂ Induced by Lithium Intercalation