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Séminaire du LJLL - 21 10 2016 14h00 : M. Luskin
Mitchell Luskin (Université du Minnesota)
Mathematical modeling and numerical analysis for incommensurate 2D materials
Abstract
The unique electronic, optical, and mechanical properties of 2D materials have sparked an extraordinary level of theoretical and experimental activity. Stacking a few layers of 2D materials such as graphene and molybdenum disulfide, for example, opens the possibility to tune the electronic and optical properties of these materials. One of the main issues encountered in the mathematical and computational modeling of layered 2D materials is that lattice mismatch and rotations between the layers destroy the periodic character of the system.
Even basic concepts like the Cauchy-Born strain energy density, the electronic density of states, and the Kubo-Greenwood formulas for transport properties have not been given a rigorous analysis in the incommensurate setting. New approximate approaches will be discussed and the validity and efficiency of these approximations will be examined from mathematical and numerical analysis perspectives.
Joint work with E. Cancès, P. Cazeaux, D. Massatt, and C. Ortner.