Structure of monolayer <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mn>2</mml:mn><mml:mi>H</mml:mi></mml:mrow><mml:mtext>?</mml:mtext><mml:msub><mml:mi mathvariant="normal">TaS</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math> on Au(111)
نویسندگان
چکیده
We determined the structure of epitaxial $2H\text{\ensuremath{-}}\mathrm{Ta}{\mathrm{S}}_{2}$ on Au(111) using method x-ray standing waves (XSW), supported by density functional theory (DFT) calculations and scanning tunneling microscopy (STM). The lattice mismatch between substrate overlayer gives rise to a moir\'e superstructure, which modulates structural electronic properties. For specific registry (S atoms directly above Au atoms), local covalentlike bonds form, whereas globally weak van der Waals bonding prevails. Still, $\mathrm{Ta}{\mathrm{S}}_{2}$ layer remains rather flat. Significant charge transfer from into conduction band two-dimensional material is found.
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ژورنال
عنوان ژورنال: Physical review
سال: 2021
ISSN: ['0556-2813', '1538-4497', '1089-490X']
DOI: https://doi.org/10.1103/physrevb.104.205414