Ontology highlight
ABSTRACT:
SUBMITTER: Schouten AO
PROVIDER: S-EPMC8521519 | biostudies-literature | 2021 Oct
REPOSITORIES: biostudies-literature
Schouten Anna O AO Sager LeeAnn M LM Mazziotti David A DA
The journal of physical chemistry letters 20211006 40
Recent experiments have realized the Bose-Einstein condensation of excitons, known as exciton condensation, in extended systems such as bilayer graphene and van der Waals heterostructures. Here we computationally demonstrate the beginnings of exciton condensation in multilayer, molecular-scale van der Waals stacks composed of benzene subunits. The populations of excitons, which are computed from the largest eigenvalue of the particle-hole reduced density matrix (RDM) through advanced variational ...[more]