Quasiparticle dynamics by effective $$\pi $$-field distortion

Abstract Modeling dynamical processes of quasiparticles in low dimensional $$\pi $$ π -conjugated systems is challenging due to electron-phonon coupling. We show that this interaction leads to linear potential energy terms in the lattice Lagrangian similar to a local “gravitational” field. The prese...

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Bibliographic Details
Published inScientific reports Vol. 12; no. 1
Main Authors Cassiano, Tiago de Sousa Araújo, de Oliveira Neto, Pedro Henrique, e Silva, Geraldo Magela
Format Journal Article
LanguageEnglish
Published London Nature Publishing Group 01.12.2022
Subjects
Approximation
Computer applications
Electric fields
Energy
Expected values
Graphene
Gravity
Potential energy
Simulation
Theory of relativity
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Summary:Abstract Modeling dynamical processes of quasiparticles in low dimensional $$\pi $$ π -conjugated systems is challenging due to electron-phonon coupling. We show that this interaction leads to linear potential energy terms in the lattice Lagrangian similar to a local “gravitational” field. The presence of quasiparticles deforms this field in a way analogous to a low-dimension solution of general relativity. Our calculations with analytical expressions for effective $$\pi $$ π -fields yield the correct band structure and deliver proper time evolution of the quasiparticle’s properties. Furthermore, we report a sharp reduction in the dynamics computational time up to two orders of magnitude, a result that has major simulation implications.
ISSN:2045-2322
2045-2322
DOI:10.1038/s41598-022-11832-2