Structure of monolayer 
2H−TaS2
 on Au(111)

Caio C. Silva; Daniela Dombrowski; Abdus Samad; Jiaqi Cai; Wouter Jolie; Joshua Hall; Paul T. P. Ryan; Pardeep K. Thakur; David A. Duncan; Tien-Lin Lee; Udo Schwingenschlögl; Carsten Busse

doi:10.1103/physrevb.104.205414

Structure of monolayer 2H−TaS2 on Au(111)

Caio C. Silva, Daniela Dombrowski, Abdus Samad, Jiaqi Cai, Wouter Jolie, Joshua Hall, Paul T. P. Ryan, Pardeep K. Thakur, David A. Duncan, Tien-Lin Lee, Udo Schwingenschlögl, Carsten Busse

Research output: Contribution to journal › Article › peer-review

10 Scopus citations

Abstract

We determined the structure of epitaxial 2H-TaS2 on Au(111) using the method of x-ray standing waves (XSW), supported by density functional theory (DFT) calculations and scanning tunneling microscopy (STM). The lattice mismatch between substrate and overlayer gives rise to a moiré superstructure, which modulates the structural and electronic properties. For a specific registry (S atoms directly above Au substrate atoms), local covalentlike bonds form, whereas globally weak van der Waals bonding prevails. Still, the TaS2 layer remains rather flat. Significant charge transfer from Au(111) into the conduction band of the two-dimensional material is found.

Original language	English (US)
Journal	Physical Review B
Volume	104
Issue number	20
DOIs	https://doi.org/10.1103/physrevb.104.205414
State	Published - Nov 9 2021

Bibliographical note

KAUST Repository Item: Exported on 2021-11-11
Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). We acknowledge Diamond Light Source for the award of beam times (SI14799-1, SI16710-1, and SI19801-1) and support from T. Michely (Köln). P.T.P.R. was supported by the Advanced Characterisation of Materials (ACM) CDT.

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10.1103/physrevb.104.205414

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@article{6bd89954efc146969b7bd176acda85bd,

title = "Structure of monolayer 2H−TaS2 on Au(111)",

abstract = "We determined the structure of epitaxial 2H-TaS2 on Au(111) using the method of x-ray standing waves (XSW), supported by density functional theory (DFT) calculations and scanning tunneling microscopy (STM). The lattice mismatch between substrate and overlayer gives rise to a moir{\'e} superstructure, which modulates the structural and electronic properties. For a specific registry (S atoms directly above Au substrate atoms), local covalentlike bonds form, whereas globally weak van der Waals bonding prevails. Still, the TaS2 layer remains rather flat. Significant charge transfer from Au(111) into the conduction band of the two-dimensional material is found.",

author = "Silva, {Caio C.} and Daniela Dombrowski and Abdus Samad and Jiaqi Cai and Wouter Jolie and Joshua Hall and Ryan, {Paul T. P.} and Thakur, {Pardeep K.} and Duncan, {David A.} and Tien-Lin Lee and Udo Schwingenschl{\"o}gl and Carsten Busse",

note = "KAUST Repository Item: Exported on 2021-11-11 Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). We acknowledge Diamond Light Source for the award of beam times (SI14799-1, SI16710-1, and SI19801-1) and support from T. Michely (K{\"o}ln). P.T.P.R. was supported by the Advanced Characterisation of Materials (ACM) CDT.",

year = "2021",

month = nov,

day = "9",

doi = "10.1103/physrevb.104.205414",

language = "English (US)",

volume = "104",

journal = "Physical Review B",

issn = "2469-9950",

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TY - JOUR

T1 - Structure of monolayer 2H−TaS2 on Au(111)

AU - Silva, Caio C.

AU - Dombrowski, Daniela

AU - Samad, Abdus

AU - Cai, Jiaqi

AU - Jolie, Wouter

AU - Hall, Joshua

AU - Ryan, Paul T. P.

AU - Thakur, Pardeep K.

AU - Duncan, David A.

AU - Lee, Tien-Lin

AU - Schwingenschlögl, Udo

AU - Busse, Carsten

N1 - KAUST Repository Item: Exported on 2021-11-11 Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). We acknowledge Diamond Light Source for the award of beam times (SI14799-1, SI16710-1, and SI19801-1) and support from T. Michely (Köln). P.T.P.R. was supported by the Advanced Characterisation of Materials (ACM) CDT.

PY - 2021/11/9

Y1 - 2021/11/9

N2 - We determined the structure of epitaxial 2H-TaS2 on Au(111) using the method of x-ray standing waves (XSW), supported by density functional theory (DFT) calculations and scanning tunneling microscopy (STM). The lattice mismatch between substrate and overlayer gives rise to a moiré superstructure, which modulates the structural and electronic properties. For a specific registry (S atoms directly above Au substrate atoms), local covalentlike bonds form, whereas globally weak van der Waals bonding prevails. Still, the TaS2 layer remains rather flat. Significant charge transfer from Au(111) into the conduction band of the two-dimensional material is found.

AB - We determined the structure of epitaxial 2H-TaS2 on Au(111) using the method of x-ray standing waves (XSW), supported by density functional theory (DFT) calculations and scanning tunneling microscopy (STM). The lattice mismatch between substrate and overlayer gives rise to a moiré superstructure, which modulates the structural and electronic properties. For a specific registry (S atoms directly above Au substrate atoms), local covalentlike bonds form, whereas globally weak van der Waals bonding prevails. Still, the TaS2 layer remains rather flat. Significant charge transfer from Au(111) into the conduction band of the two-dimensional material is found.

UR - http://hdl.handle.net/10754/673277

UR - https://link.aps.org/doi/10.1103/PhysRevB.104.205414

U2 - 10.1103/physrevb.104.205414

DO - 10.1103/physrevb.104.205414

M3 - Article

SN - 2469-9950

VL - 104

JO - Physical Review B

JF - Physical Review B

IS - 20

ER -

Structure of monolayer 2H−TaS2 on Au(111)

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