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Title: 3D Imaging and Manipulation of Subsurface Selenium Vacancies in PdSe 2

Two-dimensional materials such as layered transition-metal dichalcogenides (TMDs) are ideal platforms for studying defect behaviors, an essential step towards defect engineering for novel material functions. Here, we image the 3D lattice locations of selenium-vacancy V Se defects and manipulate them using a scanning tunneling microscope (STM) near the surface of PdSe 2, a recently discovered pentagonal layered TMD. The V Se show a characterisitc charging ring in a spatially resolved conductance map, based on which we can determine its subsurface lattice location precisely. Using the STM tip, not only can we reversibly switch the defect states between charge neutral and charge negative, but also trigger migrations of V Se defects. This allows a demonstration of direct “writing” and “erasing” of atomic defects and tracing the diffusion pathways. First-principles calculations reveal a small diffusion barrier of V Se in PdSe 2, which is much lower than S vacancy in MoS 2 or an O vacancy in TiO 2. As a result, this finding opens an opportunity of defect engineering in PdSe 2 for such as controlled phase transformations and resistive-switching memory device application.
Authors:
ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [1] ;  [1] ;  [2] ; ORCiD logo [1] ;  [3] ; ORCiD logo [1] ; ORCiD logo [1] ; ORCiD logo [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
  3. Nanyang Technological Univ. (Singapore)
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 121; Journal Issue: 8; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS
OSTI Identifier:
1484990
Alternate Identifier(s):
OSTI ID: 1465233

Nguyen, Giang D., Liang, Liangbo, Zou, Qiang, Fu, Mingming, Oyedele, Akinola D., Sumpter, Bobby G., Liu, Zheng, Gai, Zheng, Xiao, Kai, and Li, An -Ping. 3D Imaging and Manipulation of Subsurface Selenium Vacancies in PdSe2. United States: N. p., Web. doi:10.1103/PhysRevLett.121.086101.
Nguyen, Giang D., Liang, Liangbo, Zou, Qiang, Fu, Mingming, Oyedele, Akinola D., Sumpter, Bobby G., Liu, Zheng, Gai, Zheng, Xiao, Kai, & Li, An -Ping. 3D Imaging and Manipulation of Subsurface Selenium Vacancies in PdSe2. United States. doi:10.1103/PhysRevLett.121.086101.
Nguyen, Giang D., Liang, Liangbo, Zou, Qiang, Fu, Mingming, Oyedele, Akinola D., Sumpter, Bobby G., Liu, Zheng, Gai, Zheng, Xiao, Kai, and Li, An -Ping. 2018. "3D Imaging and Manipulation of Subsurface Selenium Vacancies in PdSe2". United States. doi:10.1103/PhysRevLett.121.086101.
@article{osti_1484990,
title = {3D Imaging and Manipulation of Subsurface Selenium Vacancies in PdSe2},
author = {Nguyen, Giang D. and Liang, Liangbo and Zou, Qiang and Fu, Mingming and Oyedele, Akinola D. and Sumpter, Bobby G. and Liu, Zheng and Gai, Zheng and Xiao, Kai and Li, An -Ping},
abstractNote = {Two-dimensional materials such as layered transition-metal dichalcogenides (TMDs) are ideal platforms for studying defect behaviors, an essential step towards defect engineering for novel material functions. Here, we image the 3D lattice locations of selenium-vacancy VSe defects and manipulate them using a scanning tunneling microscope (STM) near the surface of PdSe2, a recently discovered pentagonal layered TMD. The VSe show a characterisitc charging ring in a spatially resolved conductance map, based on which we can determine its subsurface lattice location precisely. Using the STM tip, not only can we reversibly switch the defect states between charge neutral and charge negative, but also trigger migrations of VSe defects. This allows a demonstration of direct “writing” and “erasing” of atomic defects and tracing the diffusion pathways. First-principles calculations reveal a small diffusion barrier of VSe in PdSe2, which is much lower than S vacancy in MoS2 or an O vacancy in TiO2. As a result, this finding opens an opportunity of defect engineering in PdSe2 for such as controlled phase transformations and resistive-switching memory device application.},
doi = {10.1103/PhysRevLett.121.086101},
journal = {Physical Review Letters},
number = 8,
volume = 121,
place = {United States},
year = {2018},
month = {8}
}

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