Open AccessTheoretical interpretation of scanning tunneling microscopy images: Application to the molybdenum disulfide family of transition metal dichalcogenides
Author(s) -
Terry R. Coley,
William A. Goddard,
John D. Baldeschwieler
Publication year - 1991
Publication title -
journal of vacuum science and technology b microelectronics and nanometer structures processing measurement and phenomena
Language(s) - English
Resource type - Journals
eISSN - 1520-8567
pISSN - 1071-1023
DOI - 10.1116/1.585591
Subject(s) - scanning tunneling microscope , molybdenum disulfide , spin polarized scanning tunneling microscopy , transition metal , quantum tunnelling , scanning tunneling spectroscopy , conductive atomic force microscopy , atom (system on chip) , ab initio , electrochemical scanning tunneling microscope , condensed matter physics , interpretation (philosophy) , materials science , chemistry , ab initio quantum chemistry methods , molecular physics , chemical physics , crystallography , nanotechnology , atomic force microscopy , physics , molecule , metallurgy , computer science , biochemistry , organic chemistry , programming language , embedded system , catalysis
We have performed ab initio quantum mechanical calculations to describe scanning tunneling microscopy (STM) images of MoS_2 and MoTe_2. These results indicate that the interpretation of the STM images of these and related materials depends sensitively on experimental conditions. For example, determining whether the maximum tunneling current correlates to the top atom (S or Te) or to the second‐layer atom (Mo) requires information on the tip‐sample separation. Based on these results we discuss some STM experimental procedures which would allow assignment of the chemical identity of STM spots with greater certainty.
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