Interatomic correlations moments in graphene monolayer

\n\nThis study investigated the interatomic correlation moments within a graphene monolayer using the correlative approach based on an unsymmetrized self-consistent field (CUSF) method. This analysis encompassed various approximations, such as the harmonic, quasi-harmonic, and weakly anharmonic models. Numerical evaluations for low temperatures were conducted employing the parametric interatomic potential specifically developed for graphene by Tewary and Yang. The findings revealed a notable reduction in the interatomic correlation moments with increased interatomic distance. Moreover, the correlations between the transverse atomic displacements were less pronounced than those between the longitudinal displacements. Additionally, the significance of anharmonicity was duly validated. Comparatively, the longitudinal atomic displacements in the graphene lattice exhibited a stronger correlation than the square and hexagonal lattices.\n

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Publication Details

Journal
Springer Link (Chiba Institute of Technology)
Published
2024-08-21
DOI
https://doi.org/10.1209/0295-5075/ad6288/pdf
Primary Topic
Graphene research and applications
Type
article
Field-Weighted Citation Impact
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article

Interatomic correlations moments in graphene monolayer

Springer Link (Chiba Institute of Technology)
Graphene research and applications
article

Interatomic correlations moments in graphene monolayer

article en

Abstract

\n\nThis study investigated the interatomic correlation moments within a graphene monolayer using the correlative approach based on an unsymmetrized self-consistent field (CUSF) method. This analysis encompassed various approximations, such as the harmonic, quasi-harmonic, and weakly anharmonic models. Numerical evaluations for low temperatures were conducted employing the parametric interatomic potential specifically developed for graphene by Tewary and Yang. The findings revealed a notable reduction in the interatomic correlation moments with increased interatomic distance. Moreover, the correlations between the transverse atomic displacements were less pronounced than those between the longitudinal displacements. Additionally, the significance of anharmonicity was duly validated. Comparatively, the longitudinal atomic displacements in the graphene lattice exhibited a stronger correlation than the square and hexagonal lattices.\n

Springer Link (Chiba Institute of Technology)
Pontifícia Universidade Católica de Goiás (BR)
Openalex Percentile: Top 75%
Graphene research and applications
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