Citation Link: https://doi.org/10.1088/2053-1583/acb279
Phase engineering in tantalum sulfide monolayers on Au(111)
Publication Type
Article
Subjects
Tantalum
Monolayer
Scanning tunneling microscope
Sulfur
Materials science
Density functional theory
Heterojunction
Sulfide
Substrate (aquarium)
Crystallography
Lattice (music)
Nanotechnology
Chemistry
Optoelectronics
Metallurgy
Geology
Computational chemistry
Physics
Date Issued
2023
Abstract
We prepare monolayers of tantalum sulfide on Au(111) by evaporation of Ta in a reactive background of H 2 S. Under sulfur-rich conditions, monolayers of 2H-TaS 2 develop, whereas under sulfur-poor conditions TaS forms, a structure that can be derived from 2H-TaS 2 by removal of the bottom S layer. We analyze the alignment of the layers with respect to the substrate and the relation with the domains in the Au(111) herringbone reconstruction using scanning tunneling microscopy. With the help of density functional theory calculations we can determine the registry of the two phases with the substrate. We develop a growth process that allows preparation of uniquely oriented 2H-TaS 2 on Au(111). 2H-TaS 2 and TaS have a remarkably similar in-plane lattice structure and we observe the formation of lateral 2H-TaS 2 -TaS heterostructures with atomically well-defined and defect-free boundaries. We observe mirror twin boundaries within 2H-TaS 2 along the S- and Ta-edge.
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