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Thermal buckling transition in graphene: Static and dynamical critical exponents

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posted on 2025-03-10, 17:15 authored by Enzo Granato, KR Elder, SC Ying, Tapio Ala-NissilaTapio Ala-Nissila
We study numerically the thermal buckling transition in graphene membranes under compressive strain and clamped boundaries employing an atomistic quasiharmonic model. The numerical simulations combine three different Monte Carlo methods, local moves, collective wave moves and parallel tempering. We determine the static and the dynamical critical exponents by finite-size scaling, and the nonlinear response to a transverse force near the transition. The correlation length exponent and the nonlinear response are in good agreement with recent renormalization-group calculations of elastic membranes. Despite the applied strain, we find a dynamical critical exponent and diffusion exponent of height fluctuations at the transition close to the value for freestanding graphene, z=2(1+ζ) and α=ζ/(ζ+1), where ζ is the static roughening exponent, as obtained in a recent study with a phase-field crystal model.

History

School

  • Science

Department

  • Mathematical Sciences

Published in

Physical Review B

Volume

111

Issue

1

Publisher

American Physical Society (APS)

Version

  • AM (Accepted Manuscript)

Rights holder

© American Physical Society

Publisher statement

This paper by Enzo Granato, K. R. Elder, S. C. Ying and T. Ala-Nissila, Thermal buckling transition in graphene: Static and dynamical critical exponents, Phys. Rev. B 111, 014102 – Published 6 January, 2025, Vol. 111, Iss. 1 — 1 January 2025 was published by American Physical Society (APS) and the definitive published version is available at https://doi.org/10.1103/PhysRevB.111.014102

Acceptance date

2024-12-17

Publication date

2025-01-06

Copyright date

2025

ISSN

2469-9950

eISSN

2469-9969

Language

  • en

Depositor

Prof Tapio Ala-Nissila. Deposit date: 1 March 2025

Article number

014102

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