Monte Carlo Simulation of Charge Transport in Graphene (Simulazione Monte Carlo per il trasporto di cariche nel grafene)

TL;DR

This paper presents charge transport simulations in graphene using a recent DSMC method, comparing computational efficiencies of MATLAB and Fortran, and exploring effects of different substrates on electron dynamics.

Contribution

It introduces original models for atom-impurity distance distributions in graphene and applies the DSMC method to simulate charge transport on various substrates.

Findings

Fortran implementation is faster than MATLAB.

Models for atom-impurity distributions are developed.

Simulations show substrate influence on charge transport.

Abstract

Simulations of charge transport in graphene are presented by implementing a recent method published on the paper: V. Romano, A. Majorana, M. Coco, "DSMC method consistent with the Pauli exclusion principle and comparison with deterministic solutions for charge transport in graphene", Journal of Computational Physics 302 (2015) 267-284. After an overview of the most important aspects of the semiclassical transport model for the dynamics of electrons in monolayer graphene, it is made a comparison in computational time between MATLAB and Fortran implementations of the algorithms. Therefore it is studied the case of graphene on substrates which it is produced original results by introducing models for the distribution of distances between graphene's atoms and impurities. Finally simulations, by choosing different kind of substrates, are done. ----- Le simulazioni per il trasporto di cariche nel grafene sono presentate implementando un recente metodo pubblicato nell'articolo: V. Romano, A. Majorana, M. Coco, "DSMC method consistent with the Pauli exclusion principle and comparison with deterministic solutions for charge transport in graphene", Journal of Computational Physics 302 (2015) 267-284. Dopo una panoramica sugli aspetti pi\`u importanti del modello di trasporto semiclassico per la dinamica degli elettroni nel grafene sospeso, \`e stato effettuato un confronto del tempo computazionale tra le implementazioni MATLAB e Fortran dell'algoritmo. Inoltre \`e stato anche studiato il caso del grafene su substrato su cui sono stati prodotti dei risultati originali considerando dei modelli per la distribuzione delle distanze tra gli atomi del grafene e le impurezze. Infine sono state effettuate delle simulazioni scegliendo substrati di diversa natura.