Review of Surface Relaxation and Reconstruction Phenomena

Zieliński, Piotr

doi:10.12693/aphyspola.89.251

Cited by 8 publications

(5 citation statements)

References 32 publications

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“…Surface reconstruction and relaxation occurs at the surface of crystalline materials due to the different coordination of the atoms compared to the bulk. Usually, cleaving covalent bonds at the surface result in the formation of new bonds, resulting in a surface reconstruction 48 , 49 . The atomic structure of the cleaved Sb(111) surface has been examined by STM and LEED.…”

Section: Resultsmentioning

confidence: 99%

The topological soliton in Peierls semimetal Sb

Chekmazov,

Ksenz,

Ionov

et al. 2024

Sci Rep

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Sb is a three-dimensional Peierls insulator. The Peierls instability gives rise to doubling of the translational period along the [111] direction and alternating van der Waals and covalent bonding between (111) atomic planes. At the (111) surface of Sb, the Peierls condition is violated, which in theory can give rise to properties differing from the bulk. The atomic and electronic structure of the (111) surface of Sb have been simulated by density functional theory calculations. We have considered the two possible (111) surfaces, containing van der Waals dangling bonds or containing covalent dangling bonds. In the models, the surfaces are infinite and the structure is defect free. Structural optimization of the model containing covalent dangling bonds results in strong deformation, which is well described by a topological soliton within the Su–Schrieffer–Heeger model centered about 25 Å below the surface. The electronic states associated with the soliton see an increase in the density of states (DOS) at the Fermi level by around an order of magnitude at the soliton center. Scanning tunneling microscopy and spectroscopy (STM/STS) measurements reveal two distinct surface regions, indicating that there are different surface regions cleaving van der Waals and covalent bonds. The DFT is in good agreement with the STM/STS experiments.

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Section: Resultsmentioning

confidence: 99%

The topological soliton in Peierls semimetal Sb

Chekmazov,

Ksenz,

Ionov

et al. 2024

Sci Rep

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“…A crystalline solid can be considered as a series of mutually parallel lattice planes, arranged in a periodic way. Close to the surface, the spatial arrangement of the lattice planes, their crystallographic structure, as well as the dynamics of the constituent atoms may differ from the corresponding features in the bulk [10]. Most clean metals show the tendency to minimize their surface energy.…”

Section: Her At Single Crystal Surfaces and Bulk Surfacesmentioning

confidence: 99%

Hydrogen Evolution Reaction-From Single Crystal to Single Atom Catalysts

et al. 2020

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Hydrogen evolution reaction (HER) is one of the most important reactions in electrochemistry. This is not only because it is the simplest way to produce high purity hydrogen and the fact that it is the side reaction in many other technologies. HER actually shaped current electrochemistry because it was in focus of active research for so many years (and it still is). The number of catalysts investigated for HER is immense, and it is not possible to overview them all. In fact, it seems that the complexity of the field overcomes the complexity of HER. The aim of this review is to point out some of the latest developments in HER catalysis, current directions and some of the missing links between a single crystal, nanosized supported catalysts and recently emerging, single-atom catalysts for HER.

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“…without considering their influence on the lattice dynamics. Several other aspects of the structure and dynamics of crystal surfaces have been considered, both theoretically (but with the absence either of non-nearest interactions or the anharmonicity) [24][25][26] and experimentally [27][28][29][30][31][32].…”

Section: Introductionmentioning

confidence: 99%

On the influence of non‐nearest neighbor interactions and anharmonicity on the atomic properties of a crystal surface: one‐dimensional model

Rabelo

Zubov

Silva

2003

Physica Status Solidi (b)

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PACS 68.35.Ja, 68.35.Md We describe self-consistently the effects of non-nearest neighbor interactions and anharmonicity on the atomic properties of a crystal surface. An approach is developed based on the unsymmetrized selfconsistent field approximation (USF). The structural, dynamical and thermodynamic properties of a semiinfinite linear chain are studied in the classical limit. Expressions for the lattice relaxation in the vicinity of the surface, the mean-squared atomic displacements and for the surface energy and free energy are obtained. Quantitative estimates were made using the Lennard-Jones 6-12 interatomic potential.Ñàìîñîãëàñîâàííûì îáðàçîì îïèñûâàåòñÿ âëèÿíèå âçàèìîäåéñòâèÿ ìåaeäó íåáëèaeàéøèìè ñîñåäÿìè è àíãàðìîíèçìà íà àòîìíûå ñâîéñòâà ïîâåðõíîñòåé êðèñòàëëîâ. Ïîäõîä îñíîâàí íà íåñèììåòðèçîâàííîì ïðèáëèaeåíèè ñàìîñîãëàñîâàííîãî ïîëÿ. Â êëàññè÷åñêîì ïðåäåëå èçó-÷àþòñÿ ñòðóêòóðíûå, äèíàìè÷åñêèå è òåðìîäèíàìè÷åñêèå ñâîéñòâà ïîëóáåñêîíå÷íîé ëèíåéíîé öåïî÷êè. Ïîëó÷åíû âûðàaeåíèÿ äëÿ ðåëàêñàöèè ðåøåòêè âáëèçè ïîâåðõíîñòè, ñðåäíåê-âàäðàòè÷íûõ ñìåùåíèé, ïîâåðõíîñòíîé ýíåðãèè è ñâîáîäíîé ýíåðãèè. Êîëè÷åñòâåííûå îöåíêè ñäåëàíû äëÿ ïîòåíöèàëà âçàèìîäåéñòâèÿ Ëåííàðä-Äaeîíñà.

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Review of Surface Relaxation and Reconstruction Phenomena

Cited by 8 publications

References 32 publications

The topological soliton in Peierls semimetal Sb

The topological soliton in Peierls semimetal Sb

Hydrogen Evolution Reaction-From Single Crystal to Single Atom Catalysts

On the influence of non‐nearest neighbor interactions and anharmonicity on the atomic properties of a crystal surface: one‐dimensional model

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