Frozen Gaussian Approximation for the Dirac Equation in Curved Space with Application to Strained Graphene

Frozen Gaussian Approximation for the Dirac Equation in Curved Space with Application to Strained Graphene

Year:    2023

Author:    Lihui Chai, Lorin Emmanuel, Xu Yang

Communications in Computational Physics, Vol. 34 (2023), Iss. 1 : pp. 18–37

Abstract

In this paper, we derive the frozen Gaussian approximation (FGA) for computing the solution to the Dirac equation in curved space in the semi-classical regime. The latter equation is used in particular for modeling electronic scattering on strained graphene surfaces. We present numerical comparisons of the Dirac solutions on curved and flat spaces, illustrating the focusing effect of graphene surfaces, as well as qualitative comparisons with a tight-binding model. A CPU-time comparison shows that FGA becomes more efficient than an IMEX pseudospectral method when the semiclassical parameter is small.

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Journal Article Details

Publisher Name:    Global Science Press

Language:    English

DOI:    https://doi.org/10.4208/cicp.OA-2021-0209

Communications in Computational Physics, Vol. 34 (2023), Iss. 1 : pp. 18–37

Published online:    2023-01

AMS Subject Headings:    Global Science Press

Copyright:    COPYRIGHT: © Global Science Press

Pages:    20

Keywords:    Dirac equation semi-classical regime frozen Gaussian approximation strained graphene.

Author Details

Lihui Chai

Lorin Emmanuel

Xu Yang