DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: A Novel $$\sqrt {19} $$ × $$\sqrt {19} $$ Superstructure in Epitaxially Grown 1T–TaTe2

Abstract

The spontaneous formation of electronic orders is a crucial element for understanding complex quantum states and engineering heterostructures in 2D materials. A novel $$\sqrt {19} $$ × $$\sqrt {19} $$ charge order in few-layer-thick 1T-TaTe2 transition metal dichalcogenide films grown by molecular beam epitaxy, which has not been realized, is report. The photoemission and scanning probe measurements demonstrate that monolayer 1T-TaTe2 exhibits a variety of metastable charge density wave orders, including the $$\sqrt {19} $$ × $$\sqrt {19} $$ superstructure, which can be selectively stabilized by controlling the post-growth annealing temperature. Moreover, it is found that only the $$\sqrt {19} $$ × $$\sqrt {19} $$ order persists in 1T-TaTe2 films thicker than a monolayer, up to 8 layers. Furthermore, the findings identify the previously unrealized novel electronic order in a much-studied transition metal dichalcogenide and provide a viable route to control it within the epitaxial growth process.

Authors:
ORCiD logo [1];  [2];  [3];  [3];  [4];  [5];  [2];  [6];  [3];  [7];  [8];  [2];  [9];  [3]; ORCiD logo [10];  [11]
  1. SLAC National Accelerator Lab., Menlo Park, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Pusan National Univ., Busan (Korea, Republic of)
  2. Pusan National Univ., Busan (Korea, Republic of)
  3. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  4. Korea Atomic Energy Research Inst., Daejeon (South Korea)
  5. SLAC National Accelerator Lab., Menlo Park, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  6. Univ. of California, Berkeley, CA (United States)
  7. Univ. of California, Berkeley, CA (United States); Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Fudan Univ., Shanghai (China)
  8. Korea Inst. of Science and Technology, Seoul (South Korea)
  9. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Pusan National Univ., Busan (Korea, Republic of); Korea Inst. of Science and Technology, Seoul (South Korea)
  10. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
  11. SLAC National Accelerator Lab., Menlo Park, CA (United States); Stanford Univ., Menlo Park, CA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States); SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Research Foundation of Korea (NRF); Korea Basic Science Institute; Korea Atomic Energy Research Institute; Kavli Energy NanoScience Institute (ENSI)
OSTI Identifier:
1888487
Alternate Identifier(s):
OSTI ID: 1882735; OSTI ID: 1885987
Grant/Contract Number:  
AC02-05CH11231; AC02-76SF00515; 2021R1A2C1004266; 2020K1A3A7A09080369; 2021R1A6C101A429; 524460-22; 2021R1A2C2014179; DE‐AC02‐76SF00515; DE‐AC02‐05CH11231
Resource Type:
Accepted Manuscript
Journal Name:
Advanced Materials
Additional Journal Information:
Journal Volume: 34; Journal Issue: 38; Journal ID: ISSN 0935-9648
Publisher:
Wiley
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; angle-resolved photoemission; charge density waves; molecular beam epitaxy; tantalum ditellurides; transition metal dichalcogenides

Citation Formats

Hwang, Jinwoong, Jin, Yeongrok, Zhang, Canxun, Zhu, Tiancong, Kim, Kyoo, Zhong, Yong, Lee, Ji‐Eun, Shen, Zongqi, Chen, Yi, Ruan, Wei, Ryu, Hyejin, Hwang, Choongyu, Lee, Jaekwang, Crommie, Michael F., Mo, Sung‐Kwan, and Shen, Zhi‐Xun. A Novel $\sqrt {19} $ × $\sqrt {19} $ Superstructure in Epitaxially Grown 1T–TaTe2. United States: N. p., 2022. Web. doi:10.1002/adma.202204579.
Hwang, Jinwoong, Jin, Yeongrok, Zhang, Canxun, Zhu, Tiancong, Kim, Kyoo, Zhong, Yong, Lee, Ji‐Eun, Shen, Zongqi, Chen, Yi, Ruan, Wei, Ryu, Hyejin, Hwang, Choongyu, Lee, Jaekwang, Crommie, Michael F., Mo, Sung‐Kwan, & Shen, Zhi‐Xun. A Novel $\sqrt {19} $ × $\sqrt {19} $ Superstructure in Epitaxially Grown 1T–TaTe2. United States. https://doi.org/10.1002/adma.202204579
Hwang, Jinwoong, Jin, Yeongrok, Zhang, Canxun, Zhu, Tiancong, Kim, Kyoo, Zhong, Yong, Lee, Ji‐Eun, Shen, Zongqi, Chen, Yi, Ruan, Wei, Ryu, Hyejin, Hwang, Choongyu, Lee, Jaekwang, Crommie, Michael F., Mo, Sung‐Kwan, and Shen, Zhi‐Xun. Thu . "A Novel $\sqrt {19} $ × $\sqrt {19} $ Superstructure in Epitaxially Grown 1T–TaTe2". United States. https://doi.org/10.1002/adma.202204579. https://www.osti.gov/servlets/purl/1888487.
@article{osti_1888487,
title = {A Novel $\sqrt {19} $ × $\sqrt {19} $ Superstructure in Epitaxially Grown 1T–TaTe2},
author = {Hwang, Jinwoong and Jin, Yeongrok and Zhang, Canxun and Zhu, Tiancong and Kim, Kyoo and Zhong, Yong and Lee, Ji‐Eun and Shen, Zongqi and Chen, Yi and Ruan, Wei and Ryu, Hyejin and Hwang, Choongyu and Lee, Jaekwang and Crommie, Michael F. and Mo, Sung‐Kwan and Shen, Zhi‐Xun},
abstractNote = {The spontaneous formation of electronic orders is a crucial element for understanding complex quantum states and engineering heterostructures in 2D materials. A novel $\sqrt {19} $ × $\sqrt {19} $ charge order in few-layer-thick 1T-TaTe2 transition metal dichalcogenide films grown by molecular beam epitaxy, which has not been realized, is report. The photoemission and scanning probe measurements demonstrate that monolayer 1T-TaTe2 exhibits a variety of metastable charge density wave orders, including the $\sqrt {19} $ × $\sqrt {19} $ superstructure, which can be selectively stabilized by controlling the post-growth annealing temperature. Moreover, it is found that only the $\sqrt {19} $ × $\sqrt {19} $ order persists in 1T-TaTe2 films thicker than a monolayer, up to 8 layers. Furthermore, the findings identify the previously unrealized novel electronic order in a much-studied transition metal dichalcogenide and provide a viable route to control it within the epitaxial growth process.},
doi = {10.1002/adma.202204579},
journal = {Advanced Materials},
number = 38,
volume = 34,
place = {United States},
year = {Thu Jul 28 00:00:00 EDT 2022},
month = {Thu Jul 28 00:00:00 EDT 2022}
}

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

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

Large-gap insulating dimer ground state in monolayer IrTe2
journal, February 2022


Projector augmented-wave method
journal, December 1994


Polymorphic Spin, Charge, and Lattice Waves in Vanadium Ditelluride
journal, February 2020

  • Won, Dongyeun; Kiem, Do Hoon; Cho, Hwanbeom
  • Advanced Materials, Vol. 32, Issue 11
  • DOI: 10.1002/adma.201906578

A new low temperature modification of TaTe2—Comparison to the room temperature and the hypothetical 1T-TaTe2 modification
journal, May 2006


Electronic Structure, Surface Doping, and Optical Response in Epitaxial WSe 2 Thin Films
journal, March 2016


QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

Real-space investigation of the charge density wave in VTe 2 monolayer with broken rotational and mirror symmetries
journal, January 2020


Classification of charge density waves based on their nature
journal, February 2015

  • Zhu, Xuetao; Cao, Yanwei; Zhang, Jiandi
  • Proceedings of the National Academy of Sciences, Vol. 112, Issue 8
  • DOI: 10.1073/pnas.1424791112

Fermi surface nesting and the origin of charge density waves in metals
journal, April 2008


Two-dimensional charge density waves in TaX2 ( X=S , Se, Te) from first principles
journal, August 2021


Scanning tunneling spectroscopic study of monolayer 1T-TaS2 and 1T-TaSe2
journal, December 2019


Direct Visualization of Trimerized States in 1 T TaTe 2
journal, October 2020


Persistent Charge-Density-Wave Order in Single-Layer TaSe 2
journal, January 2018


Charge-ordering cascade with spin–orbit Mott dimer states in metallic iridium ditelluride
journal, June 2015

  • Ko, K. -T.; Lee, H. -H.; Kim, D. -H.
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms8342

Strong correlations and orbital texture in single-layer 1T-TaSe2
journal, January 2020


Room Temperature Commensurate Charge Density Wave in Epitaxial Strained TiTe 2 Multilayer Films
journal, January 2019

  • Fragkos, Sotirios; Sant, Roberto; Alvarez, Carlos
  • Advanced Materials Interfaces, Vol. 6, Issue 5
  • DOI: 10.1002/admi.201801850

Charge density wave states in tantalum dichalcogenides
journal, January 2018

  • Miller, David C.; Mahanti, Subhendra D.; Duxbury, Phillip M.
  • Physical Review B, Vol. 97, Issue 4
  • DOI: 10.1103/PhysRevB.97.045133

Origin of First-Order-Type Electronic and Structural Transitions in IrTe 2
journal, March 2015


Electronic states of multilayer VTe2 : Quasi-one-dimensional Fermi surface and implications for charge density waves
journal, July 2021


Monolayer VTe 2 : Incommensurate Fermi surface nesting and suppression of charge density waves
journal, June 2019


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


Engineering covalently bonded 2D layered materials by self-intercalation
journal, May 2020


Origin of the structural phase transition in single-crystal TaT e 2
journal, December 2018


Intrinsic 2D Ferromagnetism in V 5 Se 8 Epitaxial Thin Films
journal, November 2019


Experimental and theoretical electronic structure and symmetry effects in ultrathin NbSe 2 films
journal, June 2018


Charge modulation and structural transformation in TaTe2 studied by scanning tunneling microscopy/spectroscopy
journal, July 2016

  • Feng, Jiagui; Tan, Andrew; Wagner, Sean
  • Applied Physics Letters, Vol. 109, Issue 2
  • DOI: 10.1063/1.4958616

First-principles investigation of the charge-density-wave instability in 1 T -TaSe 2
journal, October 2010


Direct observation of the transition from indirect to direct bandgap in atomically thin epitaxial MoSe2
journal, December 2013


Surface Reconstruction during Molecular Beam Epitaxial Growth of GaN (0001)
journal, January 1998

  • Smith, A. R.; Ramachandran, V.; Feenstra, R. M.
  • MRS Internet Journal of Nitride Semiconductor Research, Vol. 3
  • DOI: 10.1557/S1092578300000843

Emergence of charge density waves and a pseudogap in single-layer TiTe2
journal, September 2017


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


First principles phonon calculations in materials science
journal, November 2015


Evidence for quantum spin liquid behaviour in single-layer 1T-TaSe2 from scanning tunnelling microscopy
journal, August 2021


Evidence of charge density wave with anisotropic gap in a monolayer VTe 2 film
journal, December 2019


Photoinduced phase transitions in two-dimensional charge-density-wave 1T-TaS 2
journal, May 2019


Reflection high-energy electron diffraction study on the SrTiO3 surface structure
journal, August 1994


Switching of band inversion and topological surface states by charge density wave
journal, May 2020


Band insulator to Mott insulator transition in 1T-TaS2
journal, August 2020


Anionic polymeric bonds in transition metal ditellurides
journal, January 1992


Co-operative Jahn-Teller effects
journal, January 1975


Characterization of collective ground states in single-layer NbSe2
journal, November 2015

  • Ugeda, Miguel M.; Bradley, Aaron J.; Zhang, Yi
  • Nature Physics, Vol. 12, Issue 1
  • DOI: 10.1038/nphys3527

Synthesis of Ultrathin Metallic MTe 2 (M = V, Nb, Ta) Single-Crystalline Nanoplates
journal, July 2018


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


Jahn-Teller Phenomena in Solids
journal, August 1998


WSXM : A software for scanning probe microscopy and a tool for nanotechnology
journal, January 2007

  • Horcas, I.; Fernández, R.; Gómez-Rodríguez, J. M.
  • Review of Scientific Instruments, Vol. 78, Issue 1
  • DOI: 10.1063/1.2432410

Charge Density Wave State Suppresses Ferromagnetic Ordering in VSe 2 Monolayers
journal, May 2019

  • Coelho, Paula Mariel; Nguyen Cong, Kien; Bonilla, Manuel
  • The Journal of Physical Chemistry C, Vol. 123, Issue 22
  • DOI: 10.1021/acs.jpcc.9b04281