![]() ![]() In magnitude, followed by a subsequent increase. We find that as the twist angleĭecreases towards the magic angle, the correlation energy initially decreases Unit cells containing hundreds of carbon atoms. Treat electron correlation in twisted bilayer graphene superlattices with large Furthermore, we highlight the capability of BE to Weĭemonstrate that BE can predict lattice constants and bulk moduli for 2D WithoutĮxplicit dependence on the reciprocal space sum ($k$-points) in the correlationĬalculation, BE can typically recover $\sim$99.5% of the total electronĬorrelation energy in 2D semi-metal, insulator and semiconductors. ![]() Show that the recently developed bootstrap embedding (BE) accurately predictsĮlectron correlation energies and structural properties for 2D systems. Download a PDF of the paper titled Electron correlation in 2D periodic systems, by Oinam Romesh Meitei and Troy Van Voorhis Download PDF Abstract: Given the growing significance of 2D materials in various optoelectronicĪpplications, it is imperative to have simulation tools that can accurately andĮfficiently describe electron correlation effects in these systems. ![]()
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