2015/09/26 by Simone Latini, Thomas Olsen, Kristian S. Thygesen · 6 citations
Materials Science · Physics and Astronomy · #2D Materials and Applications #Condensed matter physics #Dielectric #Electron #Exciton #Graphene research and applications #Heterojunction #MXene and MAX Phase Materials #Materials science #Molecule #Optoelectronics #Physics #Quantum mechanics #Stacking #cond-mat.mes-hall #cond-mat.mtrl-sci #van der Waals force
paper · pdf · doi:10.1103/physrevb.92.245123
14 pages, 13 figures
arxiv created 2015/09/26 · openalex publication_date 2015/12/17 · arxiv updated 2016/01/20 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
van der Waals heterostructures, created by stacking two-dimensional materials, represent a novel and largely unexplored class of materials with very interesting optoelectronic properties. Excitons, strongly bound electron-hole pairs, play a crucial role in determining these properties, especially in 2D materials where the electron-hole binding is strong. However, a complete understanding of excitonic effects in 2D layered materials, i.e., when the electronic system transitions from a 2D geometry to a 3D one, is still missing. Here, the authors present a first-principles based multiscale method that attempts to fill this gap. With the help of their framework, one can predict the optoelectronics properties of van der Waals heterostructures and make a closer connection between the available theoretical models and experimental measurements in these materials.