Atomic insights into single-layer and bilayer germanene on Al(111) surface

Muzychenko, D. A.; Oreshkin, A. I.; Legen’ka, A. D.; Haesendonck, Chris Van

doi:10.1016/j.mtphys.2020.100241

Cited by 11 publications

(21 citation statements)

References 57 publications

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“…Thus, SXRD results demonstrate that the surface layer is a (3 × 3) honeycomb layer with 8 atoms per unit cell. This is in very good agreement with the recent high-resolution STM observations of Muzychenko et al 21 However, contrary to their conclusions, our analysis shows that this honeycomb layer sits on top of an alloyed plane, as initially proposed by Fang et al 23 Moreover, in all models giving a good agreement, the highest atom is a Ge atom above an Al atom, which resides also at a higher z value as compared to the other atoms of the second layer, whereas Muzychenko et al concluded that the uplifted Ge atom is on a threefold fcc position. 21 It must be underlined that information on atomic positions below the surface is not easily obtained by STM, whereas SXRD gives information on all atoms near the surface.…”

Section: ■ Methodssupporting

confidence: 93%

“…This is in very good agreement with the recent high-resolution STM observations of Muzychenko et al 21 However, contrary to their conclusions, our analysis shows that this honeycomb layer sits on top of an alloyed plane, as initially proposed by Fang et al 23 Moreover, in all models giving a good agreement, the highest atom is a Ge atom above an Al atom, which resides also at a higher z value as compared to the other atoms of the second layer, whereas Muzychenko et al concluded that the uplifted Ge atom is on a threefold fcc position. 21 It must be underlined that information on atomic positions below the surface is not easily obtained by STM, whereas SXRD gives information on all atoms near the surface. However, in this particular case, two different models with a close structure give nearly the same agreement with the experiments, and therefore, SXRD alone cannot answer whether the honeycomb layer is pure germanene or a Ge−Al alloy.…”

Section: ■ Methodssupporting

confidence: 93%

“…To solve the structure of germanene/Al(111), scanning tunneling microscopy (STM) experiments have been performed very recently with an unprecedented resolution . All surface atoms can be identified on the images, confirming models of 8 atoms arranged in a (2 × 2) honeycomb for (3 × 3)Al(111) and 6 atoms arranged in a (√3 × √3) honeycomb for (√7 × √7)R19.1°Al(111).…”

Section: Introductionmentioning

confidence: 89%

“…A large number of structures are hypothesized with a lattice constant in the 0.43–0.44 nm range, thus corresponding to a high misfit of 7–10%. This is the case for germanene/Pt(110), germanene/Au(111), (2 × 2) germanene/(3 × 3)Al(111), ,− and germanene/HOPG . On the contrary, much smaller lattice constants, in the order of 0.38 nm, have been obtained in a framework of honeycomb structures for germanene/MoS 2 and for (2 × 2) germanene/(√7 × √7)R19.1°Al(111) .…”

Section: Introductionmentioning

confidence: 95%

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Structure of Germanene/Al(111): A Two-Layer Surface Alloy

et al. 2021

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Unlike silicene, for which the demonstration of its existence has been done through numerous independent studies, the possibility of growing epitaxial germanene remains highly controversial. It has been recently shown by scanning tunneling microscopy that the (3 × 3) surface reconstruction formed upon Ge deposition on Al(111) presents a honeycomb structure, and it was assigned to a pure germanene monolayer. Using quantitative measurements by surface X-ray diffraction compared to density functional theory calculations, we demonstrate that this Ge/Al(111) (3 × 3) reconstruction corresponds, in fact, to a mixed Ge–Al honeycomb layer on top of an alloyed interfacial layer. The model of a germanene monolayer on top of the Al(111) surface can be completely excluded.

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Section: ■ Methodssupporting

confidence: 93%

Section: ■ Methodssupporting

confidence: 93%

Section: Introductionmentioning

confidence: 89%

Section: Introductionmentioning

confidence: 95%

See 2 more Smart Citations

Structure of Germanene/Al(111): A Two-Layer Surface Alloy

et al. 2021

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“…Among the various substrates, Al(111) surface is one of the most widely studied. The formation of germanene on this surface is first reported by Delivaz et al in 2015 8 , and then attracts great interest [19][20][21][22][23][24][25][26][27][28][29][30] . Two ordered phases have been observed experimentally, corresponding to the √7×√7 reconstruction [19][20][21]25 and 3×3 reconstruction 8,[19][20][21][22][23][24] related to the Al(111) surface [hereafter named as (√7×√7) and (3×3), respectively].…”

Section: Introductionmentioning

confidence: 99%

Identifying the alloy structures of germanene grown on Al(111)

Yan

et al. 2022

Phys. Rev. B

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While the growth of germanene has been claimed on many substrates, the exact crystal structures remain controversial. Here, we systematically explore the possible structures formed by Ge deposition onto Al(111) surface by combining density-functional theory (DFT) and global optimization algorithm. We show that, by high level randomphase approximation (RPA) calculations, the formation of germanene on Al(111) is energetically unfavorable with positive formation energy. The two experimental phases are identified as honeycomb alloys Al 3 Ge 3 /Al(111)( √7×√7) and Al 3 Ge 4 /Al(111)(3×3), by combining ab initio evolutionary simulations, RPA calculations, and available experimental data from scanning tunneling microscopy (STM) and low-energy electron diffraction (LEED). Al 3 Ge 4 /Al(111)(3×3) is an interesting structure with a vacancy in the substrate, which accounts for the dark clover pattern in the experimental STM image. Our results clarify the structural controversy of the Ge/Al(111) system and indicate the fabrication of germanene may remain challenging.

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Novel Penetrated Nucleation Mechanism for Controlled Synthesis of 2D Materials on Metal Substrates

Xu,

He,

Yan

et al. 2024

Adv Funct Materials

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Abstract2D materials have attracted considerable attention in the past decades for their unique properties, making the understanding of their nucleation process key to effective synthesis. Traditional explanations of thin‐film growth, focusing on the competition between atom interactions at the interface and within layers, often fall short of explaining real experimental results. Herein, a penetrated nucleation mechanism is proposed for 2D materials growth on metal substrates, taking into account the role of metal substrate atoms. This approach leads to a better understanding of how the surface shape evolves in two specific ways during growth in real experimental findings. Supported by detailed first‐principles simulations of boron on metal substrates and thermodynamic analyses of other studies involving metals and nonmetals, the above‐proposed mechanism is validated. Moreover, a broad strategy for growing large‐scale 2D materials on metal surfaces without creating undesired alloy layers is also presented, by adjusting the interfacial interactions by surface passivation, validated by existing experiments.

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Atomic insights into single-layer and bilayer germanene on Al(111) surface

Cited by 11 publications

References 57 publications

Structure of Germanene/Al(111): A Two-Layer Surface Alloy

Structure of Germanene/Al(111): A Two-Layer Surface Alloy

Identifying the alloy structures of germanene grown on Al(111)

Novel Penetrated Nucleation Mechanism for Controlled Synthesis of 2D Materials on Metal Substrates

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