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Zhurnal Tekhnicheskoi Fiziki, 2024 Volume 94, Issue 3, Pages 378–384 (Mi jtf6727)

XI International Symposium ''Optics and Biophotonics'' (Saratov Fall Meeting 2023), Saratov, 25-29 September 2023
Atomic and molecular physics

Oscillation processes during acoustic wave propagation in monolayer phosphorene

I. A. Shepelevab, I. D. Kolesnikovb, S. V. Dmitrievc

a Almet'evsk State Petroleum Institute
b Saratov State University, 410012 Saratov, Russia
c Institute of Mathematics with Computing Centre, Subdivision of the Ufa Federal Research Centre of the Russian Academy of Sciences, Ufa, Russia

Abstract: Acoustic waves can arise in crystals as a result of slow continuous longitudinal compression and are an effective way to transfer energy over long distances deep into the crystal without significantly changing its properties. Acoustic wave propagation in two-dimensional (2D) materials is much less studied than in 3D crystals. Molecular dynamics simulations are used to analyze acoustic dynamics in single-layer phosphorene. We analyze the mechanisms of wave propagation in different crystallographic directions and the effect on the wave properties due to the high lattice anisotropy of phosphorene. As part of the analysis, we study the vibrations of the atoms through which the acoustic wave travels in both inert and moving coordinate systems. This enables us to analyze in detail the wave propagation process and the dynamics of the vibrations of the atoms arising after the wave passes through them. In general, our results contribute to the understanding of the nonlinear dynamics of localized excitations in two-dimensional materials.

Keywords: 2D materials, phosphorene, extreme impacts, acoustic waves, molecular dynamics, longitudinal compression.

Received: 17.01.2024
Revised: 17.01.2024
Accepted: 17.01.2024

DOI: 10.61011/JTF.2024.03.57375.8-24



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