Two Phases of Monolayer Tantalum Sulfide on Au(111)

Dombrowski, Daniela; Samad, Abdus; Murray, Clifford; Petrović, Marin; Ewen, Pascal R.; Michely, Thomas; Kralj, Marko; Schwingenschlögl, Udo; Busse, Carsten

doi:10.1021/acsnano.1c04249

Cited by 12 publications

(35 citation statements)

References 51 publications

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“…At DLS, this procedure was performed twice to obtain a high coverage film. A preceding detailed study of the growth parameters showed that under these conditions, exclusively monolayers of the 2H-TaS 2 result [15]. We observed the same LEED pattern in both systems, using a standard optics in MS and a microchannel plate at DLS.…”

Section: Experimental Methodssupporting

confidence: 72%

“…We used the calculated structures for a simulation of STM images (not shown here; see Ref. [15]). The regions where S occupies the top position [Ta hcp S top /Ta fcc S top , i.e., the center of the unit cell in Fig.…”

Section: Resultsmentioning

confidence: 99%

“…Specifically, the presence of the gold substrate destroys the charge density wave order [12], which prevails on the less interacting substrate graphene [5], and is even enhanced on hexagonal boron nitride (hBN) by interfacial electrostatic interactions [6]. Furthermore, the presence of the gold substrate can stabilize sulfur-poor phases of monolayer tantalum sulfide [15].…”

Section: Introductionmentioning

confidence: 99%

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

Silva

Dombrowski²,

Samad³

et al. 2021

Phys. Rev. B

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We determined the structure of epitaxial 2H -TaS 2 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 TaS 2 layer remains rather flat. Significant charge transfer from Au(111) into the conduction band of the two-dimensional material is found.

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Section: Experimental Methodssupporting

confidence: 72%

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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

Silva

Dombrowski²,

Samad³

et al. 2021

Phys. Rev. B

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“…Sometimes the study of metastable structures has tremendous importance because of their superior properties and synthesis feasibility, such as optimization of the growth conditions or destabilizing the stable phases by charge transfer like in the case of TMDCs. 38,39 The 2D metastable structures of CdTe 4 , Cd 3 Te 4 , Cd 4 Te, and Cd 3 Te 2 are respectively 48, 62, 68, and 79 meV per atom above the convex hull (see Fig. S1 for details †).…”

Section: Structure Predictionmentioning

confidence: 99%

Strain and thickness effects on the electronic structures of low-energy two-dimensional Cd_xTe_y phases

Ali

Shin

2022

Phys. Chem. Chem. Phys.

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“…Charge-ordered states, so-called charge density waves (CDWs), have been observed in 2D Ti-based − and Ta-based ,, TMDs. The TaS 2 polytype with trigonal local environment around the metal atoms, which we call “2 H ” in analogy with the bulk terminology (it is also called “1 H ”), is a metallic material that can be grown as a 2D single layer by molecular beam epitaxy. ,,, To control its Ta:S composition, the growth conditions must be chosen carefully. , The material is known to form 0°-oriented moirés on Au(111) and hexagonal boron nitride ( h -BN) substrates but no moiré on graphene substrates , due to the very weak interaction with this substrate. On Au(111), no CDW could be observed, while on h -BN the moiré was argued to stabilize, up to room temperature (RT), a CDW resembling that in the bulk below 75 K , (and also to some extent at higher temperatures).…”

mentioning

confidence: 99%

Superstructures, Commensurations, and Rotation of Single-Layer TaS₂ on Au(111) Induced by Cs Intercalation/Deintercalation

et al. 2023

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We use in situ synchrotron grazing incidence X-ray diffraction and X-ray reflectivity to investigate with high resolution the structure of a two-dimensional single layer of tantalum sulfide grown on a Au(111) surface and its evolution during intercalation by Cs atoms and deintercalation, which decouples and recouples the two materials, respectively. The grown single layer consists of a mixture of TaS2 and its S-depleted version, TaS, both aligned with gold, and forming moirés where 7 (respectively 13) lattice constants of the 2D layer almost perfectly match 8 (respectively 15) substrate lattice constants. Intercalation fully decouples the system by lifting the single layer by ∼370 pm and induces an increase of its lattice parameter by 1–2 picometers. The system gradually evolves, during cycles of intercalation/deintercalation assisted by an H2S atmosphere, toward a final coupled state consisting of the fully stoichiometric TaS2 dichalcogenide whose moiré is found very close to the 7/8 commensurability. The reactive H2S atmosphere appears necessary to achieve full deintercalation, presumably by preventing S depletion and the concomitant strong bonding with the intercalant. The structural quality of the layer improves during the cyclic treatment. In parallel, because they are decoupled from the substrate by the intercalation of cesium, some of the TaS2 flakes rotate by 30°. These produce two additional superlattices with characteristic diffraction patterns of different origins. The first is aligned with gold’s high symmetry crystallographic directions and is a commensurate moiré ((6 × 6)-Au(111) coinciding with (3√3 × 3√3)R30°-TaS2). The second is incommensurate and corresponds to a near coincidence of (6 × 6) unit cells of 30°-rotated TaS2 with (4√3 × 4√3)Au(111) surface ones. This structure, which is less coupled to gold, might be related to the ∼(3× 3) charge density wave previously reported even at room temperature in TaS2 grown on noninteracting substrates. A (3 × 3) superstructure of 30°-rotated TaS2 islands is indeed revealed by complementary scanning tunneling microscopy.

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Two Phases of Monolayer Tantalum Sulfide on Au(111)

Cited by 12 publications

References 51 publications

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

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

Strain and thickness effects on the electronic structures of low-energy two-dimensional Cd_xTe_y phases

Superstructures, Commensurations, and Rotation of Single-Layer TaS₂ on Au(111) Induced by Cs Intercalation/Deintercalation

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Two Phases of Monolayer Tantalum Sulfide on Au(111)

Cited by 12 publications

References 51 publications

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

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

Strain and thickness effects on the electronic structures of low-energy two-dimensional CdxTey phases

Superstructures, Commensurations, and Rotation of Single-Layer TaS2 on Au(111) Induced by Cs Intercalation/Deintercalation

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Product

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Strain and thickness effects on the electronic structures of low-energy two-dimensional Cd_xTe_y phases

Superstructures, Commensurations, and Rotation of Single-Layer TaS₂ on Au(111) Induced by Cs Intercalation/Deintercalation