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Title: Defects in Highly Anisotropic Transition-Metal Dichalcogenide PdSe 2

Abstract

The atomic and electronic structures of the pristine PdSe2 as well as various intrinsic vacancy defects in PdSe2 are studied comprehensively by combining scanning tunneling microscopy, spectroscopy and density functional theory calculations. Other than the topmost Se atoms, sublayer Pd atoms, the intrinsic Pd and Se vacancy-defects are identified. Both VSe and VPd defects induce defect states near Fermi level. As a result, the vacancy defects can be negatively charged by tip gating effect. At negative sample bias, the screened Coulomb interaction between STM tip and the charged vacancies creates disk-like protrusion around VPd and crater-like features around VSe. The magnification effect of the long-range charge localization at the charged defect site makes sublayer defects as deep as 1nm visible even in STM images. In conclusion, this result proves that by gating the probe, scanning probe microscopy can be used as an easy tool for characterizing sublayer defects in a nondestructive way.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2];  [3];  [3]; ORCiD logo [2]
  1. Xiamen Univ., Xiamen, Fujian Province (China). Fujian Provincial Key Lab. of Semiconductors and Applications, Collaborative Innovation Center for Optoelectronic Semiconductors and Efficient Devices; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science (CNMS)
  3. Xiamen Univ., Xiamen, Fujian Province (China). Fujian Provincial Key Lab. of Semiconductors and Applications, Collaborative Innovation Center for Optoelectronic Semiconductors and Efficient Devices
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1606854
Grant/Contract Number:  
AC05-00OR22725
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry Letters
Additional Journal Information:
Journal Volume: 11; Journal Issue: 3; Journal ID: ISSN 1948-7185
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; Palladium; Two dimensional materials; Defects in solids; Defects; Scanning tunneling microscopy

Citation Formats

Fu, Mingming, Liang, Liangbo, Zou, Qiang, Nguyen, Giang D., Xiao, Kai, Li, An-Ping, Kang, Junyong, Wu, Zhiming, and Gai, Zheng. Defects in Highly Anisotropic Transition-Metal Dichalcogenide PdSe 2. United States: N. p., 2019. Web. https://doi.org/10.1021/acs.jpclett.9b03312.
Fu, Mingming, Liang, Liangbo, Zou, Qiang, Nguyen, Giang D., Xiao, Kai, Li, An-Ping, Kang, Junyong, Wu, Zhiming, & Gai, Zheng. Defects in Highly Anisotropic Transition-Metal Dichalcogenide PdSe 2. United States. https://doi.org/10.1021/acs.jpclett.9b03312
Fu, Mingming, Liang, Liangbo, Zou, Qiang, Nguyen, Giang D., Xiao, Kai, Li, An-Ping, Kang, Junyong, Wu, Zhiming, and Gai, Zheng. Fri . "Defects in Highly Anisotropic Transition-Metal Dichalcogenide PdSe 2". United States. https://doi.org/10.1021/acs.jpclett.9b03312. https://www.osti.gov/servlets/purl/1606854.
@article{osti_1606854,
title = {Defects in Highly Anisotropic Transition-Metal Dichalcogenide PdSe 2},
author = {Fu, Mingming and Liang, Liangbo and Zou, Qiang and Nguyen, Giang D. and Xiao, Kai and Li, An-Ping and Kang, Junyong and Wu, Zhiming and Gai, Zheng},
abstractNote = {The atomic and electronic structures of the pristine PdSe2 as well as various intrinsic vacancy defects in PdSe2 are studied comprehensively by combining scanning tunneling microscopy, spectroscopy and density functional theory calculations. Other than the topmost Se atoms, sublayer Pd atoms, the intrinsic Pd and Se vacancy-defects are identified. Both VSe and VPd defects induce defect states near Fermi level. As a result, the vacancy defects can be negatively charged by tip gating effect. At negative sample bias, the screened Coulomb interaction between STM tip and the charged vacancies creates disk-like protrusion around VPd and crater-like features around VSe. The magnification effect of the long-range charge localization at the charged defect site makes sublayer defects as deep as 1nm visible even in STM images. In conclusion, this result proves that by gating the probe, scanning probe microscopy can be used as an easy tool for characterizing sublayer defects in a nondestructive way.},
doi = {10.1021/acs.jpclett.9b03312},
journal = {Journal of Physical Chemistry Letters},
number = 3,
volume = 11,
place = {United States},
year = {2019},
month = {12}
}

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