ﻻ يوجد ملخص باللغة العربية
Electronic charge rearrangement between components of a heterostructure is the fundamental principle to reach the electronic ground state. It is acknowledged that the density of states distribution of the components governs the amount of charge transfer, but a notable dependence on temperature has not yet been considered, particularly for weakly interacting systems. Here, we experimentally observe that the amount of ground state charge transfer in a van der Waals heterostructure formed by monolayer MoS2 sandwiched between graphite and a molecular electron acceptor layer increases by a factor of three when going from 7 K to room temperature. State-of-the-art electronic structure calculations of the full heterostructure that account for nuclear thermal fluctuations reveal intra-component electron-phonon coupling and inter-component electronic coupling as the key factors determining the amount of charge transfer. This conclusion is rationalized by a model applicable to multi-component van der Waals heterostructures.
Van-der-Waals heterostructures show many intriguing phenomena including ultrafast charge separation following strong excitonic absorption in the visible spectral range. However, despite the enormous potential for future applications in the field of o
Silicene is a promising 2D Dirac material as a building block for van der Waals heterostructures (vdWHs). Here we investigate the electronic properties of hexagonal boron nitride/silicene (BN/Si) vdWHs using first-principles calculations. We calculat
Van der Waals heterostructures give access to a wide variety of new phenomena that emerge thanks to the combination of properties brought in by the constituent layered materials. We show here that owing to an enhanced interaction cross section with e
Heterostructures of atomically thin van der Waals bonded monolayers have opened a unique platform to engineer Coulomb correlations, shaping excitonic, Mott insulating, or superconducting phases. In transition metal dichalcogenide heterostructures, el
Recent research showed that the rotational degree of freedom in stacking 2D materials yields great changes in the electronic properties. Here we focus on an often overlooked question: are twisted geometries stable and what defines their rotational en