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Title: Charge density wave order in 1D mirror twin boundaries of single-layer MoSe 2

Here, We provide direct evidence for the existence of isolated, one-dimensional charge density waves at mirror twin boundaries (MTBs) of single-layer semiconducting MoSe 2. Such MTBs have been previously observed by transmission electron microscopy and have been predicted to be metallic in MoSe 2 and MoS 2. Our low-temperature scanning tunnelling microscopy/spectroscopy measurements revealed a substantial bandgap of 100 meV opening at the Fermi energy in the otherwise metallic one-dimensional structures. We found a periodic modulation in the density of states along the MTB, with a wavelength of approximately three lattice constants. In addition to mapping the energy-dependent density of states, we determined the atomic structure and bonding of the MTB through simultaneous high-resolution non-contact atomic force microscopy. Density functional theory calculations based on the observed structure reproduced both the gap opening and the spatially resolved density of states.
Authors:
 [1] ;  [1] ;  [1] ; ORCiD logo [2] ;  [3] ;  [4] ;  [3] ;  [5] ; ORCiD logo [3] ;  [1] ;  [6] ;  [7] ;  [7] ;  [1] ;  [8] ;  [1]
  1. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry, Materials Division
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source; Nanjing Univ. (China). Collaborative Innovation Center of Advanced Microstructures
  3. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source
  4. Univ. of California, Berkeley, CA (United States). Dept. of Physics; CIC nanoGUNE, Donostia-San Sebastian (Spain); Ikerbasque, Bilbao (Spain). Basque Foundation for Science
  5. SLAC National Accelerator Lab., Menlo Park, CA (United States)
  6. Univ. of California, Berkeley, CA (United States). Dept. of Physics, Dept. of Materials Science and Engineering
  7. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Materials Division, Kavli Energy NanoSciences Inst.; Univ. of California, Berkeley, CA (United States). Dept. of Physics
  8. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Molecular Foundry, Materials Division, Kavli Energy NanoSciences Inst.; Univ. of California, Berkeley, CA (United States). Dept. of Physics
Publication Date:
Grant/Contract Number:
AC02-05CH11231; AC02-76SF00515
Type:
Accepted Manuscript
Journal Name:
Nature Physics
Additional Journal Information:
Journal Volume: 12; Journal Issue: 8; Journal ID: ISSN 1745-2473
Publisher:
Nature Publishing Group (NPG)
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; two-dimensional materials
OSTI Identifier:
1379553

Barja, Sara, Wickenburg, Sebastian, Liu, Zhen-Fei, Zhang, Yi, Ryu, Hyejin, Ugeda, Miguel M., Hussain, Zahid, Shen, Zhi-Xun, Mo, Sung-Kwan, Wong, Ed, Salmeron, Miquel B., Wang, Feng, Crommie, Michael F., Ogletree, D. Frank, Neaton, Jeffrey B., and Weber-Bargioni, Alexander. Charge density wave order in 1D mirror twin boundaries of single-layer MoSe2. United States: N. p., Web. doi:10.1038/nphys3730.
Barja, Sara, Wickenburg, Sebastian, Liu, Zhen-Fei, Zhang, Yi, Ryu, Hyejin, Ugeda, Miguel M., Hussain, Zahid, Shen, Zhi-Xun, Mo, Sung-Kwan, Wong, Ed, Salmeron, Miquel B., Wang, Feng, Crommie, Michael F., Ogletree, D. Frank, Neaton, Jeffrey B., & Weber-Bargioni, Alexander. Charge density wave order in 1D mirror twin boundaries of single-layer MoSe2. United States. doi:10.1038/nphys3730.
Barja, Sara, Wickenburg, Sebastian, Liu, Zhen-Fei, Zhang, Yi, Ryu, Hyejin, Ugeda, Miguel M., Hussain, Zahid, Shen, Zhi-Xun, Mo, Sung-Kwan, Wong, Ed, Salmeron, Miquel B., Wang, Feng, Crommie, Michael F., Ogletree, D. Frank, Neaton, Jeffrey B., and Weber-Bargioni, Alexander. 2016. "Charge density wave order in 1D mirror twin boundaries of single-layer MoSe2". United States. doi:10.1038/nphys3730. https://www.osti.gov/servlets/purl/1379553.
@article{osti_1379553,
title = {Charge density wave order in 1D mirror twin boundaries of single-layer MoSe2},
author = {Barja, Sara and Wickenburg, Sebastian and Liu, Zhen-Fei and Zhang, Yi and Ryu, Hyejin and Ugeda, Miguel M. and Hussain, Zahid and Shen, Zhi-Xun and Mo, Sung-Kwan and Wong, Ed and Salmeron, Miquel B. and Wang, Feng and Crommie, Michael F. and Ogletree, D. Frank and Neaton, Jeffrey B. and Weber-Bargioni, Alexander},
abstractNote = {Here, We provide direct evidence for the existence of isolated, one-dimensional charge density waves at mirror twin boundaries (MTBs) of single-layer semiconducting MoSe 2. Such MTBs have been previously observed by transmission electron microscopy and have been predicted to be metallic in MoSe 2 and MoS 2. Our low-temperature scanning tunnelling microscopy/spectroscopy measurements revealed a substantial bandgap of 100 meV opening at the Fermi energy in the otherwise metallic one-dimensional structures. We found a periodic modulation in the density of states along the MTB, with a wavelength of approximately three lattice constants. In addition to mapping the energy-dependent density of states, we determined the atomic structure and bonding of the MTB through simultaneous high-resolution non-contact atomic force microscopy. Density functional theory calculations based on the observed structure reproduced both the gap opening and the spatially resolved density of states.},
doi = {10.1038/nphys3730},
journal = {Nature Physics},
number = 8,
volume = 12,
place = {United States},
year = {2016},
month = {4}
}

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