Enhanced van der Waals epitaxy via electron transfer enabled interfacial dative bond formation

Xie, Weiyu; Lu, Toh‐Ming; Wang, G.-C.; Bhat, Ishwara B.; Zhang, Shou-Cheng

doi:10.1103/physrevmaterials.1.063402

Phys. Rev. Materials

2017

DOI: 10.1103/physrevmaterials.1.063402

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Enhanced van der Waals epitaxy via electron transfer enabled interfacial dative bond formation

Weiyu Xie

Toh‐Ming Lu

G.-C. Wang

et al.

Abstract: Enhanced van der Waals (vdW) epitaxy of semiconductors on layered vdW substrate is identified as the formation of dative bonds. For example, despite that NbSe2 is a vdW layered material, firstprinciples calculations reveal that the bond strength at CdTe-NbSe2 interface is five times as large as that of vdW interaction at CdTe-graphene interface. The unconventional chemistry here is enabled by an effective net electron transfer from Cd dangling-bond states at CdTe surface to metallic non-bonding NbSe2 states, w… Show more

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Cited by 4 publications

References 28 publications

(19 reference statements)

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Dative Epitaxy of Commensurate Monocrystalline Covalent van der Waals Moiré Supercrystal

et al. 2022

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Realizing van der Waals (vdW) epitaxy in the 80's represents a breakthrough that circumvents the stringent lattice matching and processing compatibility requirements in conventional covalent heteroepitaxy. However, due to the weak vdW interactions, there is little control over film qualities by the substrate. Typically, discrete domains with a spread of misorientation angles are formed, limiting the applicability of vdW epitaxy. Here we report the epitaxial growth of monocrystalline, covalent Cr5Te8 2D crystals on monolayer vdW WSe2 by chemical vapor deposition, driven by interfacial dative bond formation. The lattice of Cr5Te8, with a lateral dimension of a few ten microns, is fully commensurate with that of WSe2 via 3 × 3 (Cr5Te8)/7 × 7 (WSe2) supercell matching, forming a single-crystalline moiré superlattice. Our work has established a conceptually distinct paradigm of thin film epitaxy termed "dative epitaxy", which takes full advantage of covalent epitaxy with chemical bonding for fixing the atomic registry and crystal orientation, while circumventing its stringent lattice matching and processing compatibility requirements; conversely, it ensures the full flexibility of vdW epitaxy, while avoiding its poor orientation control. Cr5Te8 2D crystals grown by dative epitaxy exhibit square magnetic hysteresis, suggesting minimized interfacial defects that can serve as pinning sites.

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Dative Epitaxy of Commensurate Monocrystalline Covalent van der Waals Moiré Supercrystal

et al. 2022

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Growth of epitaxial CdTe thin films on amorphous substrates using single crystal graphene buffer

Mohanty

Sun

et al. 2019

Carbon

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Mechanism of remote epitaxy of stanene on Cu(111) substrate through monolayer graphene linking

Liu

Liang

et al. 2022

Journal of Applied Physics

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Graphene-coated substrates have a significant effect on regulating the commensurate epilayer growth of ionic thin-films, which has demonstrated that the polarity of atomic binding in ionic-bonded materials is strong enough to penetrate through a few-layer graphene, but that from the covalent-bonded material is screened even by a monolayer graphene (MLG). However, recent studies have demonstrated that the covalent-bonded stanene film can also be obtained by the remote heteroepitaxy on the monolayer graphene-covered Cu(111) substrate. In this work, we use first-principles calculations to uncover the microscopic mechanism of the unusual remote interactions, which facilitate the Sn adatom growth on the MLG-covered Cu substrate. Our calculations suggest that the lattice sites of MLG determine the adatom registry and provide an essential mediator role in the extended adatom-linking-substrate interactions, whereas the Cu substrate under the MLG reinforces the adsorption on the entire surface by the extended hybridization of MLG/Cu(111) interfacial states with the Sn adatom localized states. This finding provides a novel insight into the remote epitaxial mechanism of 2D films on the MLG-covered metal substrates, which opens the opportunity in the field of vdW (van der Waals) epitaxial of low-dimensional element crystalline and their transferable integration.

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Enhanced van der Waals epitaxy via electron transfer enabled interfacial dative bond formation

Cited by 4 publications

References 28 publications

Dative Epitaxy of Commensurate Monocrystalline Covalent van der Waals Moiré Supercrystal

Dative Epitaxy of Commensurate Monocrystalline Covalent van der Waals Moiré Supercrystal

Growth of epitaxial CdTe thin films on amorphous substrates using single crystal graphene buffer

Mechanism of remote epitaxy of stanene on Cu(111) substrate through monolayer graphene linking

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