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Lattice Green's Function for Multiscale Modeling of Strain Field Due to a Vacancy or Other Point Defects in Graphene

Published online by Cambridge University Press:  06 August 2020

V.K. Tewary  and
E.J. Garboczi
V.K. Tewary*
Affiliation:
Applied Chemicals and Materials Division NIST, Boulder, CO 80305
E.J. Garboczi
Affiliation:
Applied Chemicals and Materials Division NIST, Boulder, CO 80305
*
*vinodtewary@gmail.com
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Abstract

A multiscale Green's function method, based upon a solution of the Dyson equation, is described for modeling the strain field due to a vacancy or any other point defect in graphene and other 2D materials. Numerical results are presented using a fourth-neighbor force-constant model for the purpose of illustration.

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Articles
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MRS Advances , Volume 5 , Issue 52-53: Nanoscale and Quantum Materials , 2020 , pp. 2717 - 2725
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Copyright © 2020 Materials Research Society

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