Tianyu Kong, Diyi Liu, Mitchell Luskin, Alexander B. Watson
{"title":"Modeling of Electronic Dynamics in Twisted Bilayer Graphene","authors":"Tianyu Kong, Diyi Liu, Mitchell Luskin, Alexander B. Watson","doi":"10.1137/23m1595941","DOIUrl":null,"url":null,"abstract":"SIAM Journal on Applied Mathematics, Volume 84, Issue 3, Page 1011-1038, June 2024. <br/> Abstract. We consider the problem of numerically computing the quantum dynamics of an electron in twisted bilayer graphene. The challenge is that atomic-scale models of the dynamics are aperiodic for generic twist angles because of the incommensurability of the layers. The Bistritzer–MacDonald PDE model, which is periodic with respect to the bilayer’s moiré pattern, has recently been shown to rigorously describe these dynamics in a parameter regime. In this work, we first prove that the dynamics of the tight-binding model of incommensurate twisted bilayer graphene can be approximated by computations on finite domains. The main ingredient of this proof is a speed of propagation estimate proved using Combes–Thomas estimates. We then provide extensive numerical computations, which clarify the range of validity of the Bistritzer–MacDonald model.","PeriodicalId":51149,"journal":{"name":"SIAM Journal on Applied Mathematics","volume":null,"pages":null},"PeriodicalIF":1.9000,"publicationDate":"2024-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"SIAM Journal on Applied Mathematics","FirstCategoryId":"100","ListUrlMain":"https://doi.org/10.1137/23m1595941","RegionNum":4,"RegionCategory":"数学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATHEMATICS, APPLIED","Score":null,"Total":0}
引用次数: 0
Abstract
SIAM Journal on Applied Mathematics, Volume 84, Issue 3, Page 1011-1038, June 2024. Abstract. We consider the problem of numerically computing the quantum dynamics of an electron in twisted bilayer graphene. The challenge is that atomic-scale models of the dynamics are aperiodic for generic twist angles because of the incommensurability of the layers. The Bistritzer–MacDonald PDE model, which is periodic with respect to the bilayer’s moiré pattern, has recently been shown to rigorously describe these dynamics in a parameter regime. In this work, we first prove that the dynamics of the tight-binding model of incommensurate twisted bilayer graphene can be approximated by computations on finite domains. The main ingredient of this proof is a speed of propagation estimate proved using Combes–Thomas estimates. We then provide extensive numerical computations, which clarify the range of validity of the Bistritzer–MacDonald model.
期刊介绍：
SIAM Journal on Applied Mathematics (SIAP) is an interdisciplinary journal containing research articles that treat scientific problems using methods that are of mathematical interest. Appropriate subject areas include the physical, engineering, financial, and life sciences. Examples are problems in fluid mechanics, including reaction-diffusion problems, sedimentation, combustion, and transport theory; solid mechanics; elasticity; electromagnetic theory and optics; materials science; mathematical biology, including population dynamics, biomechanics, and physiology; linear and nonlinear wave propagation, including scattering theory and wave propagation in random media; inverse problems; nonlinear dynamics; and stochastic processes, including queueing theory. Mathematical techniques of interest include asymptotic methods, bifurcation theory, dynamical systems theory, complex network theory, computational methods, and probabilistic and statistical methods.
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